N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-5-(propan-2-yl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-5-(propan-2-yl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-5-(propan-2-yl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D731-0036 |
| Compound Name: | N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-5-(propan-2-yl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 438.43 |
| Molecular Formula: | C18 H17 F3 N6 O2 S |
| Smiles: | CC(C)c1c(C(Nc2nc(CC(C)=O)ns2)=O)nnn1c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.9421 |
| logD: | 3.5776 |
| logSw: | -4.0519 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.387 |
| InChI Key: | JBDXJASRXOYIRG-UHFFFAOYSA-N |