N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,1,3-trimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide

• ChemBase ID: 395604
• Molecular Formular: C15H15N5O3S
• Molecular Mass: 345.3763
• Monoisotopic Mass: 345.08956037
• SMILES: c1(n(c(=O)n(c(=O)c1)C)C)C(=O)N(Cc1cc2c(nsn2)cc1)C
• Canonical SMILES: CN(C(=O)c1cc(=O)n(c(=O)n1C)C)Cc1ccc2c(c1)nsn2
• InChI: InChI=1S/C15H15N5O3S/c1-18(8-9-4-5-10-11(6-9)17-24-16-10)14(22)12-7-13(21)20(3)15(23)19(12)2/h4-7H,8H2,1-3H3
• InChIKey: JNQFJIFCTFOIAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,1,3-trimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
• IUPAC Traditional name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,1,3-trimethyl-2,6-dioxopyrimidine-4-carboxamide
• Synonyms: N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,1,3-trimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.728199
• LogD (pH = 7.4): 0.7281993
• Log P: 0.7281993
• Molar Refractivity: 89.7786 cm^3
• Polarizability: 34.084015 Å^3
• Polar Surface Area: 86.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.9
• LOG S: -2.49
• Polar Surface Area: 90.09 Å^2
• Rotatable Bonds: 3