ethyl 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V001-6820 |
| Compound Name: | ethyl 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 401.91 |
| Molecular Formula: | C20 H20 Cl N3 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(C(C)Sc1nnc(c2ccccc2[Cl])n1c1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1544 |
| logD: | 5.1541 |
| logSw: | -5.3544 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.437 |
| InChI Key: | NSSBWHLEZMQCGS-AWEZNQCLSA-N |