N-(4-ethylphenyl)-2-{[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-ethylphenyl)-2-{[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide
N-(4-ethylphenyl)-2-{[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8010-8970 |
| Compound Name: | N-(4-ethylphenyl)-2-{[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 383.43 |
| Molecular Formula: | C18 H17 N5 O3 S |
| Smiles: | CCc1ccc(cc1)NC(CSc1nc(c2cccc(c2)[N+]([O-])=O)n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2488 |
| logD: | 3.4908 |
| logSw: | -4.2419 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.005 |
| InChI Key: | OVTAQUPJXSPASD-UHFFFAOYSA-N |