N-(3,3-diphenylpropyl)-6-[2-(thiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-1-carboxamide

• ChemBase ID: 493163
• Molecular Formular: C29H32N2O2S
• Molecular Mass: 472.64158
• Monoisotopic Mass: 472.21844927
• SMILES: C12(C(C1)C(=O)NCCC(c1ccccc1)c1ccccc1)CCN(C(=O)Cc1sccc1)CC2
• Canonical SMILES: O=C(C1CC21CCN(CC2)C(=O)Cc1cccs1)NCCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C29H32N2O2S/c32-27(20-24-12-7-19-34-24)31-17-14-29(15-18-31)21-26(29)28(33)30-16-13-25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-12,19,25-26H,13-18,20-21H2,(H,30,33)
• InChIKey: OZCSUNBTJJLIFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,3-diphenylpropyl)-6-[2-(thiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-1-carboxamide
• IUPAC Traditional name: N-(3,3-diphenylpropyl)-6-[2-(thiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-1-carboxamide
• Synonyms: N-(3,3-diphenylpropyl)-6-(2-thienylacetyl)-6-azaspiro[2.5]octane-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.771147
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.655995
• LogD (pH = 7.4): 4.6559954
• Log P: 4.6559954
• Molar Refractivity: 136.8056 cm^3
• Polarizability: 53.067017 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.22
• LOG S: -6.92
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 8