AC1NPMQP
5-bromo-N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
Also Known As: F0509-3935|5-bromo-N-(5-((2-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide|5-bromo-N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide|5-bromo-N-{5-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}furan-2-carboxamide|N-(5-{[N-2-chloro-5-(trifluoromethyl)phenylcarbamoyl]methylthio}-1,3,4-thiadiazol-2-yl)-5-bromo-2-furamide
| Molecular Formula | C16H9BrClF3N4O3S2 |
|---|---|
| Molecular Weight | 539.894 g/mol |
| LogP | 5.5489 |
| Topological Polar Surface Area | 97.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 539.894 |
| Monoisotopic Mass | 539.894 |
| Heavy Atoms | 30 |
| Complexity | 1089.8723 |
Chemical Identifiers
| CAS Number | 393572-08-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(O3)Br)Cl |
Product Overview
AC1NPMQP (CAS 393572-08-2), with molecular formula C16H9BrClF3N4O3S2 and molecular weight 539.894 g/mol. IUPAC: 5-bromo-N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.