2-{[4-methyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[4-methyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
2-{[4-methyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y205-8051 |
| Compound Name: | 2-{[4-methyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C19 H19 N5 O4 S |
| Smiles: | CC(c1nnc(n1C)SCC(Nc1cccc(c1)[N+]([O-])=O)=O)Oc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3864 |
| logD: | 3.3857 |
| logSw: | -3.8987 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.371 |
| InChI Key: | BLEPKDJBSIIVMJ-ZDUSSCGKSA-N |