2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | 8188-3287 |
| Compound Name: | 2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 357.86 |
| Molecular Formula: | C18 H16 Cl N3 O S |
| Smiles: | CCn1c(c2cccc(c2)[Cl])nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5126 |
| logD: | 4.5126 |
| logSw: | -4.6196 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.212 |
| InChI Key: | FJAOIBSCOINUPT-UHFFFAOYSA-N |