2-(3-chlorobenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 386646
• Molecular Formular: C19H25ClN2O
• Molecular Mass: 332.8676
• Monoisotopic Mass: 332.16554111
• SMILES: N1(C(=O)c2cc(Cl)ccc2)CC2(CN(CC3CC3)CCC2)CC1
• Canonical SMILES: Clc1cccc(c1)C(=O)N1CCC2(C1)CCCN(C2)CC1CC1
• InChI: InChI=1S/C19H25ClN2O/c20-17-4-1-3-16(11-17)18(23)22-10-8-19(14-22)7-2-9-21(13-19)12-15-5-6-15/h1,3-4,11,15H,2,5-10,12-14H2
• InChIKey: PUACFPAZUVVCHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-chlorobenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(3-chlorobenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 2-(3-chlorobenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.19491437
• LogD (pH = 7.4): 1.0463105
• Log P: 3.2036426
• Molar Refractivity: 94.4582 cm^3
• Polarizability: 36.46191 Å^3
• Polar Surface Area: 23.55 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: 3.37
• LOG S: -4.42
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 3