N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

• ChemBase ID: 613002
• Molecular Formular: C15H19ClN4OS2
• Molecular Mass: 370.92056
• Monoisotopic Mass: 370.06888093
• SMILES: s1c(nnc1C)SCC(=O)NCC(c1c(Cl)cccc1)N(C)C
• Canonical SMILES: O=C(CSc1nnc(s1)C)NCC(c1ccccc1Cl)N(C)C
• InChI: InChI=1S/C15H19ClN4OS2/c1-10-18-19-15(23-10)22-9-14(21)17-8-13(20(2)3)11-6-4-5-7-12(11)16/h4-7,13H,8-9H2,1-3H3,(H,17,21)
• InChIKey: NECGWWGETBMDFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
• IUPAC Traditional name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
• Synonyms: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.174919
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.68892384
• LogD (pH = 7.4): 2.0356257
• Log P: 2.174136
• Molar Refractivity: 98.1199 cm^3
• Polarizability: 37.36921 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.13
• LOG S: -3.72
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 7