8-(4-chlorobenzoyl)-3-(pentan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 406243
• Molecular Formular: C19H25ClN2O3
• Molecular Mass: 364.8664
• Monoisotopic Mass: 364.15537035
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)c1ccc(cc1)Cl)CC2)C(CCC)C
• Canonical SMILES: CCCC(N1CC2(OC1=O)CCN(CC2)C(=O)c1ccc(cc1)Cl)C
• InChI: InChI=1S/C19H25ClN2O3/c1-3-4-14(2)22-13-19(25-18(22)24)9-11-21(12-10-19)17(23)15-5-7-16(20)8-6-15/h5-8,14H,3-4,9-13H2,1-2H3
• InChIKey: MEZNMLSPNCWRJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(4-chlorobenzoyl)-3-(pentan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(4-chlorobenzoyl)-3-(pentan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(4-chlorobenzoyl)-3-(1-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.240992
• LogD (pH = 7.4): 3.2409923
• Log P: 3.2409923
• Molar Refractivity: 97.2935 cm^3
• Polarizability: 37.606556 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.38
• LOG S: -4.75
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4