AC1NMR5A
N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
Also Known As: F0417-1057|N-{5-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(piperidine-1-sulfonyl)benzamide|N-(5-((2-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylsulfonyl)benzamide|N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
| Molecular Formula | C23H21ClF3N5O4S3 |
|---|---|
| Molecular Weight | 619.0396 g/mol |
| LogP | 5.368 |
| Topological Polar Surface Area | 121.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 619.0396 |
| Monoisotopic Mass | 619.0396 |
| Heavy Atoms | 39 |
| Complexity | 1460.3809 |
Chemical Identifiers
| CAS Number | 392299-32-0 |
|---|---|
| SMILES | C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl |
Product Overview
AC1NMR5A (CAS 392299-32-0), with molecular formula C23H21ClF3N5O4S3 and molecular weight 619.0396 g/mol. IUPAC: N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide.
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