7-[(3-methylphenyl)methyl]-2-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 794904
• Molecular Formular: C23H27N3O2
• Molecular Mass: 377.47938
• Monoisotopic Mass: 377.21032712
• SMILES: C12(C(=O)N(Cc3cc(ccc3)C)CCC2)CN(C(=O)c2cnc(cc2)C)CC1
• Canonical SMILES: Cc1ccc(cn1)C(=O)N1CCC2(C1)CCCN(C2=O)Cc1cccc(c1)C
• InChI: InChI=1S/C23H27N3O2/c1-17-5-3-6-19(13-17)15-25-11-4-9-23(22(25)28)10-12-26(16-23)21(27)20-8-7-18(2)24-14-20/h3,5-8,13-14H,4,9-12,15-16H2,1-2H3
• InChIKey: PNZCMYJKFYKRFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(3-methylphenyl)methyl]-2-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-[(3-methylphenyl)methyl]-2-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(3-methylbenzyl)-2-[(6-methyl-3-pyridinyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3460453
• LogD (pH = 7.4): 2.3743653
• Log P: 2.3747396
• Molar Refractivity: 109.6311 cm^3
• Polarizability: 41.708202 Å^3
• Polar Surface Area: 53.51 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: 2.25
• LOG S: -4.79
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3