ethyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V006-1801 |
| Compound Name: | ethyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 417.91 |
| Molecular Formula: | C20 H20 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C(C)Sc1nnc(c2ccccc2[Cl])n1c1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5721 |
| logD: | 4.5716 |
| logSw: | -4.6384 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.067 |
| InChI Key: | LUAVDKMKAQKSHF-ZDUSSCGKSA-N |