2-(3-nitro-5-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}-1H-1,2,4-triazol-1-yl)acetamide
Chemical Structure Depiction of
2-(3-nitro-5-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}-1H-1,2,4-triazol-1-yl)acetamide
2-(3-nitro-5-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}-1H-1,2,4-triazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8017-2595 |
| Compound Name: | 2-(3-nitro-5-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}-1H-1,2,4-triazol-1-yl)acetamide |
| Molecular Weight: | 390.33 |
| Molecular Formula: | C13 H10 N8 O5 S |
| Smiles: | C(C(N)=O)n1c(nc(n1)[N+]([O-])=O)Sc1nc(c[nH]1)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3609 |
| logD: | 1.3605 |
| logSw: | -2.4946 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 142.246 |
| InChI Key: | CQIMVPABGYAFFE-UHFFFAOYSA-N |