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

• ChemBase ID: 420833
• Molecular Formular: C20H22N2O5
• Molecular Mass: 370.39908
• Monoisotopic Mass: 370.15287181
• SMILES: c1(C(=O)N2CC3(C(=O)N(CCC3)CCO)CC2)cc(=O)c2c(o1)cccc2
• Canonical SMILES: OCCN1CCCC2(C1=O)CCN(C2)C(=O)c1cc(=O)c2c(o1)cccc2
• InChI: InChI=1S/C20H22N2O5/c23-11-10-21-8-3-6-20(19(21)26)7-9-22(13-20)18(25)17-12-15(24)14-4-1-2-5-16(14)27-17/h1-2,4-5,12,23H,3,6-11,13H2
• InChIKey: MWVBHIZZRFFJAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.092288
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.1993232
• LogD (pH = 7.4): 0.19932355
• Log P: 0.19932361
• Molar Refractivity: 99.1142 cm^3
• Polarizability: 37.50162 Å^3
• Polar Surface Area: 87.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.26
• LOG S: -2.99
• Polar Surface Area: 91.06 Å^2
• Rotatable Bonds: 3