N-(5-{[(4-methylbenzene-1-sulfonyl)amino]methyl}-1,3,4-thiadiazol-2-yl)-3-(2,2,2-trifluoroacetamido)benzamide
Chemical Structure Depiction of
N-(5-{[(4-methylbenzene-1-sulfonyl)amino]methyl}-1,3,4-thiadiazol-2-yl)-3-(2,2,2-trifluoroacetamido)benzamide
N-(5-{[(4-methylbenzene-1-sulfonyl)amino]methyl}-1,3,4-thiadiazol-2-yl)-3-(2,2,2-trifluoroacetamido)benzamide
Compound characteristics
| Compound ID: | 8006-4582 |
| Compound Name: | N-(5-{[(4-methylbenzene-1-sulfonyl)amino]methyl}-1,3,4-thiadiazol-2-yl)-3-(2,2,2-trifluoroacetamido)benzamide |
| Molecular Weight: | 499.49 |
| Molecular Formula: | C19 H16 F3 N5 O4 S2 |
| Smiles: | Cc1ccc(cc1)S(NCc1nnc(NC(c2cccc(c2)NC(C(F)(F)F)=O)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7882 |
| logD: | 2.5385 |
| logSw: | -3.9358 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.491 |
| InChI Key: | RBMBZZVNFUIHHW-UHFFFAOYSA-N |