7-(cyclopropylmethyl)-2-(4-oxo-4H-chromene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 851637
• Molecular Formular: C22H24N2O4
• Molecular Mass: 380.43696
• Monoisotopic Mass: 380.17360726
• SMILES: c1(C(=O)N2CC3(C(=O)N(CC4CC4)CCC3)CC2)cc(=O)c2c(o1)cccc2
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C(=O)c1cc(=O)c2c(o1)cccc2)CC1CC1
• InChI: InChI=1S/C22H24N2O4/c25-17-12-19(28-18-5-2-1-4-16(17)18)20(26)24-11-9-22(14-24)8-3-10-23(21(22)27)13-15-6-7-15/h1-2,4-5,12,15H,3,6-11,13-14H2
• InChIKey: DNQXBDCUCOOKKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-(4-oxo-4H-chromene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-(4-oxochromene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclopropylmethyl)-2-[(4-oxo-4H-chromen-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.106846
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6700015
• LogD (pH = 7.4): 1.6700028
• Log P: 1.6700029
• Molar Refractivity: 104.7639 cm^3
• Polarizability: 39.801933 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.26
• LOG S: -3.05
• Polar Surface Area: 70.83 Å^2
• Rotatable Bonds: 3