N-{3-[5-methyl-1-(2-nitrophenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide
Chemical Structure Depiction of
N-{3-[5-methyl-1-(2-nitrophenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide
N-{3-[5-methyl-1-(2-nitrophenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide
Compound characteristics
| Compound ID: | C200-4579 |
| Compound Name: | N-{3-[5-methyl-1-(2-nitrophenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide |
| Molecular Weight: | 407.41 |
| Molecular Formula: | C18 H13 N7 O3 S |
| Smiles: | Cc1c(c2nc(NC(c3ccccc3)=O)sn2)nnn1c1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2468 |
| logD: | 3.2427 |
| logSw: | -3.7513 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.54 |
| InChI Key: | MJRGATKJJNUSKQ-UHFFFAOYSA-N |