ethyl 2-{[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V030-8373 |
| Compound Name: | ethyl 2-{[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 452.36 |
| Molecular Formula: | C20 H19 Cl2 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C(C)Sc1nnc(c2ccc(cc2)OC)n1c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8542 |
| logD: | 5.8542 |
| logSw: | -6.1306 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.282 |
| InChI Key: | FMGQRXAVEXXYHE-LBPRGKRZSA-N |