N-(3,3-diphenylpropyl)-6-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]-6-azaspiro[2.5]octane-1-carboxamide

• ChemBase ID: 329485
• Molecular Formular: C27H31N3O3S
• Molecular Mass: 477.61834
• Monoisotopic Mass: 477.20861287
• SMILES: C12(C(C1)C(=O)NCCC(c1ccccc1)c1ccccc1)CCN(C(=O)[C@H]1NC(=O)SC1)CC2
• Canonical SMILES: O=C(C1CC21CCN(CC2)C(=O)[C@@H]1CSC(=O)N1)NCCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C27H31N3O3S/c31-24(28-14-11-21(19-7-3-1-4-8-19)20-9-5-2-6-10-20)22-17-27(22)12-15-30(16-13-27)25(32)23-18-34-26(33)29-23/h1-10,21-23H,11-18H2,(H,28,31)(H,29,33)/t22?,23-/m0/s1
• InChIKey: JSDLTLBJYOJJAO-WCSIJFPASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,3-diphenylpropyl)-6-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]-6-azaspiro[2.5]octane-1-carboxamide
• IUPAC Traditional name: N-(3,3-diphenylpropyl)-6-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]-6-azaspiro[2.5]octane-1-carboxamide
• Synonyms: N-(3,3-diphenylpropyl)-6-{[(4R)-2-oxo-1,3-thiazolidin-4-yl]carbonyl}-6-azaspiro[2.5]octane-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.168945
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.958157
• LogD (pH = 7.4): 2.958151
• Log P: 2.9581575
• Molar Refractivity: 133.8961 cm^3
• Polarizability: 52.088394 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.04
• LOG S: -5.72
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 7