2-[2-(3-chlorophenyl)acetyl]-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 512808
• Molecular Formular: C19H25ClN2O2
• Molecular Mass: 348.867
• Monoisotopic Mass: 348.16045573
• SMILES: C12(C(=O)N(C(C)C)CCC2)CN(C(=O)Cc2cc(Cl)ccc2)CC1
• Canonical SMILES: Clc1cccc(c1)CC(=O)N1CCC2(C1)CCCN(C2=O)C(C)C
• InChI: InChI=1S/C19H25ClN2O2/c1-14(2)22-9-4-7-19(18(22)24)8-10-21(13-19)17(23)12-15-5-3-6-16(20)11-15/h3,5-6,11,14H,4,7-10,12-13H2,1-2H3
• InChIKey: QCPLJZCSOIRDIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(3-chlorophenyl)acetyl]-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[2-(3-chlorophenyl)acetyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(3-chlorophenyl)acetyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5807397
• LogD (pH = 7.4): 2.5807402
• Log P: 2.5807402
• Molar Refractivity: 95.5663 cm^3
• Polarizability: 37.09763 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.98
• LOG S: -4.29
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3