N-(2-methoxyethyl)-2-(4-oxo-3,4-dihydroquinazolin-3-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

• ChemBase ID: 420952
• Molecular Formular: C17H18N4O3S
• Molecular Mass: 358.41482
• Monoisotopic Mass: 358.10996146
• SMILES: n1(c(=O)c2c(nc1)cccc2)CC(=O)N(Cc1nccs1)CCOC
• Canonical SMILES: COCCN(C(=O)Cn1cnc2c(c1=O)cccc2)Cc1nccs1
• InChI: InChI=1S/C17H18N4O3S/c1-24-8-7-20(10-15-18-6-9-25-15)16(22)11-21-12-19-14-5-3-2-4-13(14)17(21)23/h2-6,9,12H,7-8,10-11H2,1H3
• InChIKey: VSHPAIMOJALLRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-2-(4-oxo-3,4-dihydroquinazolin-3-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
• IUPAC Traditional name: N-(2-methoxyethyl)-2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
• Synonyms: N-(2-methoxyethyl)-2-(4-oxo-3(4H)-quinazolinyl)-N-(1,3-thiazol-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.145487
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.4749347
• LogD (pH = 7.4): 0.47625074
• Log P: 0.47626752
• Molar Refractivity: 95.6878 cm^3
• Polarizability: 35.37759 Å^3
• Polar Surface Area: 75.1 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.8
• LOG S: -3.35
• Polar Surface Area: 77.32 Å^2
• Rotatable Bonds: 7