ethyl 2-{[4-(4-chlorophenyl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[4-(4-chlorophenyl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[4-(4-chlorophenyl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | C663-0756 |
| Compound Name: | ethyl 2-{[4-(4-chlorophenyl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 464.01 |
| Molecular Formula: | C20 H22 Cl N5 O2 S2 |
| Smiles: | CCOC(C(C)Sc1nnc(CSc2nc(C)cc(C)n2)n1c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3209 |
| logD: | 4.3203 |
| logSw: | -4.5045 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.62 |
| InChI Key: | ZTKPTNBJEOUJDG-AWEZNQCLSA-N |