N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide

• ChemBase ID: 685524
• Molecular Formular: C14H15N5O3S
• Molecular Mass: 333.3656
• Monoisotopic Mass: 333.08956037
• SMILES: C1(=O)NC(=O)C(N1CC(=O)NCc1cc2c(nsn2)cc1)(C)C
• Canonical SMILES: O=C(CN1C(=O)NC(=O)C1(C)C)NCc1ccc2c(c1)nsn2
• InChI: InChI=1S/C14H15N5O3S/c1-14(2)12(21)16-13(22)19(14)7-11(20)15-6-8-3-4-9-10(5-8)18-23-17-9/h3-5H,6-7H2,1-2H3,(H,15,20)(H,16,21,22)
• InChIKey: IFFXYFABYDUPCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide
• Synonyms: N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.144598
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.53779477
• LogD (pH = 7.4): 0.5370323
• Log P: 0.53780466
• Molar Refractivity: 83.0485 cm^3
• Polarizability: 32.502876 Å^3
• Polar Surface Area: 104.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.4
• LOG S: -1.97
• Polar Surface Area: 104.29 Å^2
• Rotatable Bonds: 4