2-(5-{[3-(2-chlorophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Chemical Structure Depiction of
2-(5-{[3-(2-chlorophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-3-nitro-1H-1,2,4-triazol-1-yl)acetamide
2-(5-{[3-(2-chlorophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8016-6557 |
| Compound Name: | 2-(5-{[3-(2-chlorophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-3-nitro-1H-1,2,4-triazol-1-yl)acetamide |
| Molecular Weight: | 380.77 |
| Molecular Formula: | C12 H9 Cl N8 O3 S |
| Smiles: | C(C(N)=O)n1c(nc(n1)[N+]([O-])=O)Sc1nc(c2ccccc2[Cl])n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.2194 |
| logD: | 0.2384 |
| logSw: | -3.0112 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.81 |
| InChI Key: | WWPDGTQTPHDMHQ-UHFFFAOYSA-N |