N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-methyloxolane-2-carboxamide

• ChemBase ID: 485768
• Molecular Formular: C23H26N2O2
• Molecular Mass: 362.46474
• Monoisotopic Mass: 362.19942808
• SMILES: c1([nH]c2c(c1C)cc(cc2CNC(=O)C1(OCCC1)C)C)c1ccccc1
• Canonical SMILES: Cc1cc(CNC(=O)C2(C)CCCO2)c2c(c1)c(C)c([nH]2)c1ccccc1
• InChI: InChI=1S/C23H26N2O2/c1-15-12-18(14-24-22(26)23(3)10-7-11-27-23)21-19(13-15)16(2)20(25-21)17-8-5-4-6-9-17/h4-6,8-9,12-13,25H,7,10-11,14H2,1-3H3,(H,24,26)
• InChIKey: VBCWHTZNTOMGDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-methyloxolane-2-carboxamide
• IUPAC Traditional name: N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-methyloxolane-2-carboxamide
• Synonyms: N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-methyltetrahydrofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.407917
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.48709
• LogD (pH = 7.4): 4.48709
• Log P: 4.48709
• Molar Refractivity: 108.6108 cm^3
• Polarizability: 44.14364 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.77
• LOG S: -5.06
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 4