N-(2-nitrophenyl)-2-[(1H-1,2,4-triazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-nitrophenyl)-2-[(1H-1,2,4-triazol-5-yl)sulfanyl]acetamide
N-(2-nitrophenyl)-2-[(1H-1,2,4-triazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8006-6541 |
| Compound Name: | N-(2-nitrophenyl)-2-[(1H-1,2,4-triazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 279.27 |
| Molecular Formula: | C10 H9 N5 O3 S |
| Smiles: | C(C(Nc1ccccc1[N+]([O-])=O)=O)Sc1ncn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.0258 |
| logD: | 0.8166 |
| logSw: | -2.3928 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.924 |
| InChI Key: | JDRCMLVBMHIQAU-UHFFFAOYSA-N |