N-(2,1,3-benzothiadiazol-5-ylmethyl)-5-(methoxymethyl)-N-methylfuran-2-carboxamide

• ChemBase ID: 520053
• Molecular Formular: C15H15N3O3S
• Molecular Mass: 317.3629
• Monoisotopic Mass: 317.08341236
• SMILES: c1(C(=O)N(Cc2cc3c(nsn3)cc2)C)oc(cc1)COC
• Canonical SMILES: COCc1ccc(o1)C(=O)N(Cc1ccc2c(c1)nsn2)C
• InChI: InChI=1S/C15H15N3O3S/c1-18(15(19)14-6-4-11(21-14)9-20-2)8-10-3-5-12-13(7-10)17-22-16-12/h3-7H,8-9H2,1-2H3
• InChIKey: XPHXQBUHQQYBIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-5-(methoxymethyl)-N-methylfuran-2-carboxamide
• IUPAC Traditional name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-5-(methoxymethyl)-N-methylfuran-2-carboxamide
• Synonyms: N-(2,1,3-benzothiadiazol-5-ylmethyl)-5-(methoxymethyl)-N-methyl-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9953648
• LogD (pH = 7.4): 1.9953649
• Log P: 1.9953649
• Molar Refractivity: 83.8603 cm^3
• Polarizability: 32.17122 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.68
• LOG S: -2.95
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5