2-[(3-chlorophenyl)methyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 519137
• Molecular Formular: C19H25ClN2O
• Molecular Mass: 332.8676
• Monoisotopic Mass: 332.16554111
• SMILES: C12(C(=O)N(CC3CC3)CCC2)CN(Cc2cc(Cl)ccc2)CC1
• Canonical SMILES: Clc1cccc(c1)CN1CCC2(C1)CCCN(C2=O)CC1CC1
• InChI: InChI=1S/C19H25ClN2O/c20-17-4-1-3-16(11-17)12-21-10-8-19(14-21)7-2-9-22(18(19)23)13-15-5-6-15/h1,3-4,11,15H,2,5-10,12-14H2
• InChIKey: BDXLJLYTOBYRGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-chlorophenyl)methyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[(3-chlorophenyl)methyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(3-chlorobenzyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.09966173
• LogD (pH = 7.4): 1.7339703
• Log P: 3.2511735
• Molar Refractivity: 93.9604 cm^3
• Polarizability: 36.67443 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.37
• LOG S: -4.5
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4