7-cyclohexyl-2-[3-(2-methyl-1H-imidazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 535506
• Molecular Formular: C21H32N4O2
• Molecular Mass: 372.50438
• Monoisotopic Mass: 372.25252628
• SMILES: C12(C(=O)N(C3CCCCC3)CCC2)CN(C(=O)CCn2c(ncc2)C)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C1CCCCC1)CCn1ccnc1C
• InChI: InChI=1S/C21H32N4O2/c1-17-22-11-15-23(17)13-8-19(26)24-14-10-21(16-24)9-5-12-25(20(21)27)18-6-3-2-4-7-18/h11,15,18H,2-10,12-14,16H2,1H3
• InChIKey: SZYOJMAHYDIMEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclohexyl-2-[3-(2-methyl-1H-imidazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclohexyl-2-[3-(2-methylimidazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclohexyl-2-[3-(2-methyl-1H-imidazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.29562974
• LogD (pH = 7.4): 1.0643873
• Log P: 1.3081018
• Molar Refractivity: 104.3769 cm^3
• Polarizability: 40.45273 Å^3
• Polar Surface Area: 58.44 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: 1.82
• LOG S: -3.47
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 4