N-[3-(4-ethyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide
Chemical Structure Depiction of
N-[3-(4-ethyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide
N-[3-(4-ethyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8430-1462 |
| Compound Name: | N-[3-(4-ethyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C20 H19 N5 O4 S |
| Smiles: | CCn1c(c2cccc(c2)NC(C)=O)nnc1SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3825 |
| logD: | 3.3825 |
| logSw: | -3.8243 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.856 |
| InChI Key: | CGMNJTLRUJVFAA-UHFFFAOYSA-N |