STK274638,,, :Molecular Weight408.404 [g/mol]Molecular FormulaC22H20资料药品资讯网

STK274638,,,:MolecularWeight408.404[g/mol]MolecularFormulaC22H202020-05-1021:14点击:6
[Synonyms]
STK274638


PropertiesComputedfromStructure:MolecularWeight408.404[g/mol]MolecularFormulaC22H20N2O6XLogP4H-BondDonor0H-BondAcceptor6RotatableBondCount4TautomerCount4ExactMass408.132136MonoIsotopicMass408.132136TopologicalPolarSurfaceArea107HeavyAtomCount30FormalCharge0Complexity711IsotopeAtomCount0DefinedAtomStereoCenterCount0UndefinedAtomStereoCenterCount3DefinedBondStereoCenterCount0UndefinedBondStereoCenterCount0Covalently-BondedUnitCount1

DescriptorsComputedfromStructure:IUPACName:(4-nitrophenyl)
3-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate
CanonicalSMILES:CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]
InChI:InChI=1/C22H20N2O6/c1-13-5-10-18-19(11-13)21(26)23(20(18)25)16-4-2-3-14
(12-16)22(27)30-17-8-6-15(7-9-17)24(28)29/h2-4,6-9,12-13,18-19H,5,
10-11H2,1H3


CompoundInfo:CID:2915753CreateDate:2005-07-29
RelatedCompounds:
Same,Connectivity:6Links

SimilarCompounds:168Links


SubstanceInfo:Substances:5Links

Category:[forsamestructuresubstances]BiologicalProperties:1Link
DiscoveryGate(1)
SID:8919480-ExternalID:2915753

SubstanceVendors:3Links
Ambinter(1)
SID:26233968-ExternalID:STK274638
ChemBridge(1)
SID:3516881-ExternalID:6841838
ChemSpider(1)
SID:34484059-ExternalID:2189421

TheoreticalProperties:1Link
ChemDB(1)
SID:5191885-ExternalID:4398804

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySaveCompoundID2915753MolecularWeight408.404[g/mol]MolecularFormulaC22H20N2O6XLogP4H-BondDonor0H-BondAcceptor6Links
ChemicalStructureSearch

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[Structure]

[PropertiesComputedfromStructure]
MolecularWeight408.404[g/mol]MolecularFormulaC22H20N2O6XLogP4H-BondDonor0H-BondAcceptor6RotatableBondCount4TautomerCount4ExactMass408.132136MonoIsotopicMass408.132136TopologicalPolarSurfaceArea107HeavyAtomCount30FormalCharge0Complexity711IsotopeAtomCount0DefinedAtomStereoCenterCount0UndefinedAtomStereoCenterCount3DefinedBondStereoCenterCount0UndefinedBondStereoCenterCount0Covalently-BondedUnitCount1[DescriptorsComputedfromStructure]
IUPACName:(4-nitrophenyl)
3-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate
CanonicalSMILES:CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]
InChI:InChI=1/C22H20N2O6/c1-13-5-10-18-19(11-13)21(26)23(20(18)25)16-4-2-3-14
(12-16)22(27)30-17-8-6-15(7-9-17)24(28)29/h2-4,6-9,12-13,18-19H,5,
10-11H2,1H3