2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | D419-0687 |
| Compound Name: | 2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C22 H17 N5 O3 S |
| Smiles: | C(C(Nc1ccccc1)=O)Sc1nnc(c2cccc(c2)[N+]([O-])=O)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4184 |
| logD: | 4.4184 |
| logSw: | -4.4294 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.243 |
| InChI Key: | KZKMZWKWFIQJLS-UHFFFAOYSA-N |