N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-tert-butylbenzamide
Chemical Structure Depiction of
N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-tert-butylbenzamide
N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-tert-butylbenzamide
Compound characteristics
| Compound ID: | C200-4850 |
| Compound Name: | N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-tert-butylbenzamide |
| Molecular Weight: | 515.41 |
| Molecular Formula: | C22 H20 Br F N6 O S |
| Smiles: | Cc1c(c2nc(NC(c3ccc(cc3)C(C)(C)C)=O)sn2)nnn1c1ccc(cc1F)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.073 |
| logD: | 6.0677 |
| logSw: | -5.5357 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.459 |
| InChI Key: | KGGKIVHBALRNGN-UHFFFAOYSA-N |