2-[3-(3-methoxyphenyl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 478538
• Molecular Formular: C23H26N2O3
• Molecular Mass: 378.46414
• Monoisotopic Mass: 378.1943427
• SMILES: C12(C(=O)N(CCC2)C)CN(C(=O)c2cc(c3cc(OC)ccc3)ccc2)CC1
• Canonical SMILES: COc1cccc(c1)c1cccc(c1)C(=O)N1CCC2(C1)CCCN(C2=O)C
• InChI: InChI=1S/C23H26N2O3/c1-24-12-5-10-23(22(24)27)11-13-25(16-23)21(26)19-8-3-6-17(14-19)18-7-4-9-20(15-18)28-2/h3-4,6-9,14-15H,5,10-13,16H2,1-2H3
• InChIKey: TWEODCJICAODGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(3-methoxyphenyl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[3-(3-methoxyphenyl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(3'-methoxybiphenyl-3-yl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.712701
• LogD (pH = 7.4): 2.7127013
• Log P: 2.7127013
• Molar Refractivity: 109.1421 cm^3
• Polarizability: 42.95221 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.03
• LOG S: -3.69
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3