1-(2-chloro-5-nitrophenyl)-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2-chloro-5-nitrophenyl)-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2-chloro-5-nitrophenyl)-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8430-1473 |
| Compound Name: | 1-(2-chloro-5-nitrophenyl)-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 437.3 |
| Molecular Formula: | C18 H14 Cl2 N4 O3 S |
| Smiles: | CCn1c(c2ccc(cc2)[Cl])nnc1SCC(c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1699 |
| logD: | 5.1699 |
| logSw: | -5.4562 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.594 |
| InChI Key: | PTKMEJUBFLTBEP-UHFFFAOYSA-N |