1-(4-chlorophenyl)-2-{[5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-{[5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-chlorophenyl)-2-{[5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 7919-0041 |
| Compound Name: | 1-(4-chlorophenyl)-2-{[5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 373.86 |
| Molecular Formula: | C18 H16 Cl N3 O2 S |
| Smiles: | CCOc1ccc(cc1)c1nnc([nH]1)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9516 |
| logD: | 2.742 |
| logSw: | -4.4036 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.844 |
| InChI Key: | FHPDEDYWQPWIOG-UHFFFAOYSA-N |