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

• ChemBase ID: 334132
• Molecular Formular: C23H27N3O4
• Molecular Mass: 409.47818
• Monoisotopic Mass: 409.20015636
• SMILES: C12(C(=O)N(Cc3cc(OC)ccc3)CCC2)CN(C(=O)c2c(nccc2)OC)CC1
• Canonical SMILES: COc1cccc(c1)CN1CCCC2(C1=O)CCN(C2)C(=O)c1cccnc1OC
• InChI: InChI=1S/C23H27N3O4/c1-29-18-7-3-6-17(14-18)15-25-12-5-9-23(22(25)28)10-13-26(16-23)21(27)19-8-4-11-24-20(19)30-2/h3-4,6-8,11,14H,5,9-10,12-13,15-16H2,1-2H3
• InChIKey: KXAIGVFQRMTRDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(3-methoxyphenyl)methyl]-2-(2-methoxypyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-[(3-methoxyphenyl)methyl]-2-(2-methoxypyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(3-methoxybenzyl)-2-[(2-methoxy-3-pyridinyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0089989
• LogD (pH = 7.4): 2.009062
• Log P: 2.009063
• Molar Refractivity: 113.2383 cm^3
• Polarizability: 43.238888 Å^3
• Polar Surface Area: 71.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.94
• LOG S: -3.81
• Polar Surface Area: 71.97 Å^2
• Rotatable Bonds: 3