7-cyclohexyl-2-(3-hydroxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 547467
• Molecular Formular: C21H28N2O3
• Molecular Mass: 356.45862
• Monoisotopic Mass: 356.20999277
• SMILES: C12(C(=O)N(C3CCCCC3)CCC2)CN(C(=O)c2cc(O)ccc2)CC1
• Canonical SMILES: Oc1cccc(c1)C(=O)N1CCC2(C1)CCCN(C2=O)C1CCCCC1
• InChI: InChI=1S/C21H28N2O3/c24-18-9-4-6-16(14-18)19(25)22-13-11-21(15-22)10-5-12-23(20(21)26)17-7-2-1-3-8-17/h4,6,9,14,17,24H,1-3,5,7-8,10-13,15H2
• InChIKey: BURZEPUNLGFGLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclohexyl-2-(3-hydroxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclohexyl-2-(3-hydroxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclohexyl-2-(3-hydroxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.818227
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7186432
• LogD (pH = 7.4): 2.7026894
• Log P: 2.7188525
• Molar Refractivity: 100.5378 cm^3
• Polarizability: 38.574528 Å^3
• Polar Surface Area: 60.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.21
• LOG S: -3.11
• Polar Surface Area: 60.85 Å^2
• Rotatable Bonds: 2