1-(4-methoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-(4-methoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,3-triazole-4-carboxamide
1-(4-methoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D296-0042 |
| Compound Name: | 1-(4-methoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 358.42 |
| Molecular Formula: | C16 H18 N6 O2 S |
| Smiles: | CC(C)Cc1nnc(NC(c2cn(c3ccc(cc3)OC)nn2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.3933 |
| logD: | 3.0303 |
| logSw: | -3.6723 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.279 |
| InChI Key: | IEGJHFQZQONHPV-UHFFFAOYSA-N |