1-(4-bromophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-(4-bromophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-(4-bromophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D731-0044 |
| Compound Name: | 1-(4-bromophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 449.33 |
| Molecular Formula: | C17 H17 Br N6 O2 S |
| Smiles: | CC(C)c1c(C(Nc2nc(CC(C)=O)ns2)=O)nnn1c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.9244 |
| logD: | 3.5599 |
| logSw: | -3.9714 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.387 |
| InChI Key: | GMBAFXLUNKRIDS-UHFFFAOYSA-N |