2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G786-1506 |
| Compound Name: | 2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 458.94 |
| Molecular Formula: | C20 H15 Cl N4 O3 S2 |
| Smiles: | CCn1c(c2c(c3ccccc3s2)[Cl])nnc1SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3668 |
| logD: | 5.3668 |
| logSw: | -5.9116 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.341 |
| InChI Key: | FEZHYTQJXXVBMA-UHFFFAOYSA-N |