1-(3-methylphenyl)-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-(3-methylphenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-(3-methylphenyl)-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: | D731-0063 |
| Compound Name: | 1-(3-methylphenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 384.46 |
| Molecular Formula: | C18 H20 N6 O2 S |
| Smiles: | CC(C)c1c(C(Nc2nc(CC(C)=O)ns2)=O)nnn1c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5839 |
| logD: | 3.2194 |
| logSw: | -3.7317 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.387 |
| InChI Key: | QFQRKOPEACPCBS-UHFFFAOYSA-N |