N-(4-nitrophenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-nitrophenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(4-nitrophenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 3653-0413 |
| Compound Name: | N-(4-nitrophenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 279.27 |
| Molecular Formula: | C10 H9 N5 O3 S |
| Smiles: | C(C(Nc1ccc(cc1)[N+]([O-])=O)=O)Sc1nnc[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 0.6648 |
| logD: | 0.3103 |
| logSw: | -2.4017 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.923 |
| InChI Key: | CWTLZEJPOXNXFQ-UHFFFAOYSA-N |