2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G786-1505 |
| Compound Name: | 2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C16 H14 N4 O3 S2 |
| Smiles: | CCn1c(c2cccs2)nnc1SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6027 |
| logD: | 3.6025 |
| logSw: | -3.8 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.612 |
| InChI Key: | NLDSKHPGYBVLTR-UHFFFAOYSA-N |