AC1NPCRZ
4-butoxy-N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: F0417-1034|4-butoxy-N-{5-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide|4-butoxy-N-(5-((2-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide|4-butoxy-N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C22H20ClF3N4O3S2 |
|---|---|
| Molecular Weight | 544.06177 g/mol |
| LogP | 6.3723 |
| Topological Polar Surface Area | 93.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 544.06177 |
| Monoisotopic Mass | 544.06177 |
| Heavy Atoms | 35 |
| Complexity | 1173.4978 |
Chemical Identifiers
| CAS Number | 392299-18-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
AC1NPCRZ (CAS 392299-18-2), with molecular formula C22H20ClF3N4O3S2 and molecular weight 544.06177 g/mol. IUPAC: 4-butoxy-N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
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