ethyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V010-4468 |
| Compound Name: | ethyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 422.33 |
| Molecular Formula: | C19 H17 Cl2 N3 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(C(C)Sc1nnc(c2ccccc2[Cl])n1c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1861 |
| logD: | 5.186 |
| logSw: | -5.3641 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.437 |
| InChI Key: | GDTJEPHYSABOER-LBPRGKRZSA-N |