2-cycloheptanecarbonyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 573837
• Molecular Formular: C20H32N2O2
• Molecular Mass: 332.48028
• Monoisotopic Mass: 332.24637827
• SMILES: C12(C(=O)N(CC3CC3)CCC2)CN(C(=O)C2CCCCCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CC1CC1)C1CCCCCC1
• InChI: InChI=1S/C20H32N2O2/c23-18(17-6-3-1-2-4-7-17)22-13-11-20(15-22)10-5-12-21(19(20)24)14-16-8-9-16/h16-17H,1-15H2
• InChIKey: NFFGSVKYKMNDKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cycloheptanecarbonyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-cycloheptanecarbonyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(cycloheptylcarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7076173
• LogD (pH = 7.4): 2.7076209
• Log P: 2.707621
• Molar Refractivity: 94.6174 cm^3
• Polarizability: 37.067707 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: 2.47
• LOG S: -3.28
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3