ethyl 2-{[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V005-6185 |
| Compound Name: | ethyl 2-{[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C22 H25 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C(C)Sc1nnc(c2cc(cc(c2)OC)OC)n1c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9541 |
| logD: | 4.9541 |
| logSw: | -4.5808 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.825 |
| InChI Key: | HEEBEXWITZAKSU-HNNXBMFYSA-N |