1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]-3-(2-ethyl-1H-imidazol-1-yl)propan-1-one

• ChemBase ID: 717327
• Molecular Formular: C23H38N4O
• Molecular Mass: 386.57402
• Monoisotopic Mass: 386.30456186
• SMILES: N1(C(=O)CCn2c(ncc2)CC)CC2(CN(CC3CCCCC3)CCC2)CC1
• Canonical SMILES: CCc1nccn1CCC(=O)N1CCC2(C1)CCCN(C2)CC1CCCCC1
• InChI: InChI=1S/C23H38N4O/c1-2-21-24-12-16-26(21)14-9-22(28)27-15-11-23(19-27)10-6-13-25(18-23)17-20-7-4-3-5-8-20/h12,16,20H,2-11,13-15,17-19H2,1H3
• InChIKey: MAEUOEWEHFYQOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]-3-(2-ethyl-1H-imidazol-1-yl)propan-1-one
• IUPAC Traditional name: 1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
• Synonyms: 7-(cyclohexylmethyl)-2-[3-(2-ethyl-1H-imidazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.5420526
• LogD (pH = 7.4): 0.09104772
• Log P: 2.9195235
• Molar Refractivity: 113.9033 cm^3
• Polarizability: 44.445786 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.69
• LOG S: -3.81
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5