3-{2-[1-(2-ethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2-oxoethyl}-1,3-oxazolidin-2-one

• ChemBase ID: 372850
• Molecular Formular: C24H25N3O4
• Molecular Mass: 419.473
• Monoisotopic Mass: 419.1845063
• SMILES: c12C(N(C(=O)CN3C(=O)OCC3)CCc1c1c([nH]2)cccc1)c1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1C1N(CCc2c1[nH]c1c2cccc1)C(=O)CN1CCOC1=O
• InChI: InChI=1S/C24H25N3O4/c1-2-30-20-10-6-4-8-18(20)23-22-17(16-7-3-5-9-19(16)25-22)11-12-27(23)21(28)15-26-13-14-31-24(26)29/h3-10,23,25H,2,11-15H2,1H3
• InChIKey: LACNWQQXXYIUCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2-[1-(2-ethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2-oxoethyl}-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-{2-[1-(2-ethoxyphenyl)-1H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2-oxoethyl}-1,3-oxazolidin-2-one
• Synonyms: 3-{2-[1-(2-ethoxyphenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]-2-oxoethyl}-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.177765
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7497244
• LogD (pH = 7.4): 2.7497244
• Log P: 2.7497244
• Molar Refractivity: 115.9949 cm^3
• Polarizability: 45.8553 Å^3
• Polar Surface Area: 74.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.14
• LOG S: -4.68
• Polar Surface Area: 74.87 Å^2
• Rotatable Bonds: 3