N-(4-methoxy-2-nitrophenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-methoxy-2-nitrophenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-methoxy-2-nitrophenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8016-4181 |
| Compound Name: | N-(4-methoxy-2-nitrophenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 400.41 |
| Molecular Formula: | C17 H16 N6 O4 S |
| Smiles: | Cn1c(c2ccncc2)nnc1SCC(Nc1ccc(cc1[N+]([O-])=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1103 |
| logD: | 2.0836 |
| logSw: | -2.765 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.555 |
| InChI Key: | WQFKJYXZQKQYSN-UHFFFAOYSA-N |