5-{[(4-tert-butylbenzene-1-sulfonyl)amino]methyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[(4-tert-butylbenzene-1-sulfonyl)amino]methyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[(4-tert-butylbenzene-1-sulfonyl)amino]methyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L063-0018 |
| Compound Name: | 5-{[(4-tert-butylbenzene-1-sulfonyl)amino]methyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C20 H21 F N4 O3 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)S(NCc1nnc(C(Nc2ccc(cc2)F)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5263 |
| logD: | 4.3906 |
| logSw: | -4.1943 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.087 |
| InChI Key: | KNEYITZWMPTICM-UHFFFAOYSA-N |