7-cyclohexyl-2-(6-methyl-4-oxo-4H-pyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 570735
• Molecular Formular: C21H28N2O4
• Molecular Mass: 372.45802
• Monoisotopic Mass: 372.20490739
• SMILES: C12(C(=O)N(C3CCCCC3)CCC2)CN(C(=O)c2cc(=O)cc(o2)C)CC1
• Canonical SMILES: O=c1cc(C)oc(c1)C(=O)N1CCC2(C1)CCCN(C2=O)C1CCCCC1
• InChI: InChI=1S/C21H28N2O4/c1-15-12-17(24)13-18(27-15)19(25)22-11-9-21(14-22)8-5-10-23(20(21)26)16-6-3-2-4-7-16/h12-13,16H,2-11,14H2,1H3
• InChIKey: LBZODFQTJRYYQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclohexyl-2-(6-methyl-4-oxo-4H-pyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclohexyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclohexyl-2-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8124654
• LogD (pH = 7.4): 1.8124678
• Log P: 1.8124678
• Molar Refractivity: 104.3026 cm^3
• Polarizability: 39.21791 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.49
• LOG S: -3.19
• Polar Surface Area: 70.83 Å^2
• Rotatable Bonds: 2