AC1N3YIL
N-[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide
Also Known As: F0470-0054|N-{5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(trifluoromethyl)benzamide|N-(5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide|N-[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide
| Molecular Formula | C16H13F3N6O2S4 |
|---|---|
| Molecular Weight | 505.9935 g/mol |
| LogP | 4.5035 |
| Topological Polar Surface Area | 109.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.9935 |
| Monoisotopic Mass | 505.9935 |
| Heavy Atoms | 31 |
| Complexity | 1071.5586 |
Chemical Identifiers
| CAS Number | 391868-85-2 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3C(F)(F)F |
Product Overview
AC1N3YIL (CAS 391868-85-2), with molecular formula C16H13F3N6O2S4 and molecular weight 505.9935 g/mol. IUPAC: N-[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide.