7-(2-ethoxyethoxy)-4-[4-(propan-2-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinolin-2-one

• ChemBase ID: 546183
• Molecular Formular: C19H24N2O3S
• Molecular Mass: 360.47046
• Monoisotopic Mass: 360.15076364
• SMILES: c1(nc(cs1)C(C)C)C1c2c(NC(=O)C1)cc(cc2)OCCOCC
• Canonical SMILES: CCOCCOc1ccc2c(c1)NC(=O)CC2c1scc(n1)C(C)C
• InChI: InChI=1S/C19H24N2O3S/c1-4-23-7-8-24-13-5-6-14-15(10-18(22)20-16(14)9-13)19-21-17(11-25-19)12(2)3/h5-6,9,11-12,15H,4,7-8,10H2,1-3H3,(H,20,22)
• InChIKey: SICHKZOZVZSHSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-ethoxyethoxy)-4-[4-(propan-2-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinolin-2-one
• IUPAC Traditional name: 7-(2-ethoxyethoxy)-4-(4-isopropyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-quinolin-2-one
• Synonyms: 7-(2-ethoxyethoxy)-4-(4-isopropyl-1,3-thiazol-2-yl)-3,4-dihydroquinolin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.38215
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.2447188
• LogD (pH = 7.4): 3.2448635
• Log P: 3.244866
• Molar Refractivity: 99.5374 cm^3
• Polarizability: 37.87851 Å^3
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.98
• LOG S: -4.37
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 7