2-{[5-(2,3-dimethyl-1H-indol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(2,3-dimethyl-1H-indol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
2-{[5-(2,3-dimethyl-1H-indol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | K822-0247 |
| Compound Name: | 2-{[5-(2,3-dimethyl-1H-indol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 498.56 |
| Molecular Formula: | C26 H22 N6 O3 S |
| Smiles: | Cc1c2cc(ccc2[nH]c1C)c1nnc(n1c1ccccc1)SCC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5106 |
| logD: | 5.51 |
| logSw: | -5.557 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.169 |
| InChI Key: | SRRROQLSQZXSPU-UHFFFAOYSA-N |