7-cyclohexyl-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 687302
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: C12(C(=O)N(C3CCCCC3)CCC2)CN(C(=O)Cc2nonc2C)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C1CCCCC1)Cc1nonc1C
• InChI: InChI=1S/C19H28N4O3/c1-14-16(21-26-20-14)12-17(24)22-11-9-19(13-22)8-5-10-23(18(19)25)15-6-3-2-4-7-15/h15H,2-13H2,1H3
• InChIKey: BOPAIWTYBVXUGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclohexyl-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclohexyl-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclohexyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.108647
• LogD (pH = 7.4): 1.1086489
• Log P: 1.108649
• Molar Refractivity: 97.1984 cm^3
• Polarizability: 36.959908 Å^3
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.55
• LOG S: -3.15
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 3