N-[1-(dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide

• ChemBase ID: 577275
• Molecular Formular: C18H20N4O2S
• Molecular Mass: 356.442
• Monoisotopic Mass: 356.1306969
• SMILES: n1(c(=O)c2c(nc1)cccc2)CC(=O)NC(c1nc(c(s1)C)C)CC
• Canonical SMILES: CCC(c1sc(c(n1)C)C)NC(=O)Cn1cnc2c(c1=O)cccc2
• InChI: InChI=1S/C18H20N4O2S/c1-4-14(17-20-11(2)12(3)25-17)21-16(23)9-22-10-19-15-8-6-5-7-13(15)18(22)24/h5-8,10,14H,4,9H2,1-3H3,(H,21,23)
• InChIKey: UFJDJVOUWUQTGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide
• IUPAC Traditional name: N-[1-(dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide
• Synonyms: N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-oxo-3(4H)-quinazolinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.415255
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1664348
• LogD (pH = 7.4): 2.16806
• Log P: 2.1680846
• Molar Refractivity: 98.4133 cm^3
• Polarizability: 36.32331 Å^3
• Polar Surface Area: 74.66 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: 2.69
• LOG S: -4.1
• Polar Surface Area: 76.88 Å^2
• Rotatable Bonds: 5