N-benzyl-2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide

• ChemBase ID: 518786
• Molecular Formular: C17H18N4O3S
• Molecular Mass: 358.41482
• Monoisotopic Mass: 358.10996146
• SMILES: N1(C(=O)NCC1=O)CC(=O)N(Cc1c(ncs1)C)Cc1ccccc1
• Canonical SMILES: O=C(N(Cc1scnc1C)Cc1ccccc1)CN1C(=O)CNC1=O
• InChI: InChI=1S/C17H18N4O3S/c1-12-14(25-11-19-12)9-20(8-13-5-3-2-4-6-13)16(23)10-21-15(22)7-18-17(21)24/h2-6,11H,7-10H2,1H3,(H,18,24)
• InChIKey: UYTHZRLAIHHCKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
• IUPAC Traditional name: N-benzyl-2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
• Synonyms: N-benzyl-2-(2,5-dioxo-1-imidazolidinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.855248
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.26315916
• LogD (pH = 7.4): 0.26337898
• Log P: 0.26339704
• Molar Refractivity: 92.4522 cm^3
• Polarizability: 35.32067 Å^3
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.27
• LOG S: -3.35
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 6