2-cyclohexyl-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 425269
• Molecular Formular: C23H34N2O3
• Molecular Mass: 386.52766
• Monoisotopic Mass: 386.25694296
• SMILES: C12(C(=O)N(Cc3c(c(OC)ccc3)OC)CCC2)CN(CC1)C1CCCCC1
• Canonical SMILES: COc1c(cccc1OC)CN1CCCC2(C1=O)CCN(C2)C1CCCCC1
• InChI: InChI=1S/C23H34N2O3/c1-27-20-11-6-8-18(21(20)28-2)16-24-14-7-12-23(22(24)26)13-15-25(17-23)19-9-4-3-5-10-19/h6,8,11,19H,3-5,7,9-10,12-17H2,1-2H3
• InChIKey: NETHENVTBIAVGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexyl-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-cyclohexyl-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-cyclohexyl-7-(2,3-dimethoxybenzyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.1451149
• LogD (pH = 7.4): 0.16450995
• Log P: 3.3504796
• Molar Refractivity: 111.1542 cm^3
• Polarizability: 43.53302 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.29
• LOG S: -3.04
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 3