7-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-2-oxa-7-azaspiro[4.5]decane

• ChemBase ID: 450540
• Molecular Formular: C18H29N3O
• Molecular Mass: 303.44236
• Monoisotopic Mass: 303.23106256
• SMILES: c1(n(cnc1)C1CCCCC1)CN1CC2(COCC2)CCC1
• Canonical SMILES: C1CCC(CC1)n1cncc1CN1CCCC2(C1)COCC2
• InChI: InChI=1S/C18H29N3O/c1-2-5-16(6-3-1)21-15-19-11-17(21)12-20-9-4-7-18(13-20)8-10-22-14-18/h11,15-16H,1-10,12-14H2
• InChIKey: TVKDWNCSZRLJKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-2-oxa-7-azaspiro[4.5]decane
• IUPAC Traditional name: 7-[(3-cyclohexylimidazol-4-yl)methyl]-2-oxa-7-azaspiro[4.5]decane
• Synonyms: 7-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-2-oxa-7-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.35977903
• LogD (pH = 7.4): 1.2766179
• Log P: 2.2212825
• Molar Refractivity: 89.1499 cm^3
• Polarizability: 34.714104 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.72
• LOG S: -3.5
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 3