2-[(4-chlorophenyl)methyl]-8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 840871
• Molecular Formular: C18H25ClN2O2
• Molecular Mass: 336.8563
• Monoisotopic Mass: 336.16045573
• SMILES: N1(C(=O)CC2(C1)CCN(CC2)CCOC)Cc1ccc(Cl)cc1
• Canonical SMILES: COCCN1CCC2(CC1)CC(=O)N(C2)Cc1ccc(cc1)Cl
• InChI: InChI=1S/C18H25ClN2O2/c1-23-11-10-20-8-6-18(7-9-20)12-17(22)21(14-18)13-15-2-4-16(19)5-3-15/h2-5H,6-14H2,1H3
• InChIKey: MECZOEGHZSAMEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-chlorophenyl)methyl]-8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-[(4-chlorophenyl)methyl]-8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(4-chlorobenzyl)-8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.194091
• LogD (pH = 7.4): 0.4706195
• Log P: 1.9116864
• Molar Refractivity: 93.0101 cm^3
• Polarizability: 36.259087 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.28
• LOG S: -3.6
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5