ethyl 2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V009-4358 |
| Compound Name: | ethyl 2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C(C)Sc1nnc(c2ccc(cc2)OC)n1c1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9051 |
| logD: | 4.9048 |
| logSw: | -4.5401 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.981 |
| InChI Key: | ZNOXLQLRFPJREF-HNNXBMFYSA-N |