4-(2,4-dioxoimidazolidin-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)benzamide

• ChemBase ID: 531740
• Molecular Formular: C18H18N4O3S
• Molecular Mass: 370.42552
• Monoisotopic Mass: 370.10996146
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NC2c3nc(sc3CCC2)C)cc1
• Canonical SMILES: O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)NC1CCCc2c1nc(s2)C
• InChI: InChI=1S/C18H18N4O3S/c1-10-19-16-13(3-2-4-14(16)26-10)20-17(24)11-5-7-12(8-6-11)22-9-15(23)21-18(22)25/h5-8,13H,2-4,9H2,1H3,(H,20,24)(H,21,23,25)
• InChIKey: GXGHFJVBKUJQJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064496
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.364149
• LogD (pH = 7.4): 1.3577245
• Log P: 1.3669544
• Molar Refractivity: 95.63 cm^3
• Polarizability: 36.140614 Å^3
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.92
• LOG S: -2.69
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 3