(5Z)-3-{3-oxo-3-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]propyl}-5-(phenylmethylidene)-1,3-thiazolidine-2,4-dione

• ChemBase ID: 213705
• Molecular Formular: C24H23N3O4S
• Molecular Mass: 449.52212
• Monoisotopic Mass: 449.14092723
• SMILES: N1(C(=O)S/C(=C\c2ccccc2)/C1=O)CCC(=O)N1C[C@H]2c3n(c(=O)ccc3)C[C@@H](C1)C2
• Canonical SMILES: O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CCN1C(=O)S/C(=C\c2ccccc2)/C1=O
• InChI: InChI=1S/C24H23N3O4S/c28-21(25-13-17-11-18(15-25)19-7-4-8-22(29)27(19)14-17)9-10-26-23(30)20(32-24(26)31)12-16-5-2-1-3-6-16/h1-8,12,17-18H,9-11,13-15H2/b20-12-
• InChIKey: HBSIGFMAIRSOTN-NDENLUEZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5Z)-3-{3-oxo-3-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0^2,^7]trideca-2,4-dien-11-yl]propyl}-5-(phenylmethylidene)-1,3-thiazolidine-2,4-dione
• IUPAC Traditional name: (5Z)-3-{3-oxo-3-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0^2,^7]trideca-2,4-dien-11-yl]propyl}-5-(phenylmethylidene)-1,3-thiazolidine-2,4-dione

Database IDs

• PubChem SID: 164269615
• PubChem CID: 16405185

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3420646
• LogD (pH = 7.4): 1.3420655
• Log P: 1.3420655
• Molar Refractivity: 125.7522 cm^3
• Polarizability: 46.741497 Å^3
• Polar Surface Area: 78.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds