ethyl 4-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 4-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
ethyl 4-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | V009-3617 |
| Compound Name: | ethyl 4-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate |
| Molecular Weight: | 415.94 |
| Molecular Formula: | C21 H22 Cl N3 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(CCCSc1nnc(c2ccccc2[Cl])n1c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0815 |
| logD: | 5.0815 |
| logSw: | -5.156 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.143 |
| InChI Key: | DZJBUHIMBRFYAA-UHFFFAOYSA-N |