ethyl 2-{[5-(3,4-dimethoxyphenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[5-(3,4-dimethoxyphenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[5-(3,4-dimethoxyphenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V009-6052 |
| Compound Name: | ethyl 2-{[5-(3,4-dimethoxyphenyl)-4-(3-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(c2ccc(c(c2)OC)OC)n1c1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6538 |
| logD: | 4.6537 |
| logSw: | -4.4641 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.999 |
| InChI Key: | IFQKNBAIRUEEFY-HNNXBMFYSA-N |