methyl 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
methyl 2-{[4-(4-chlorophenyl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
methyl 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: | C663-0759 |
| Compound Name: | methyl 2-{[4-(4-chlorophenyl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 449.98 |
| Molecular Formula: | C19 H20 Cl N5 O2 S2 |
| Smiles: | CC(C(=O)OC)Sc1nnc(CSc2nc(C)cc(C)n2)n1c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8799 |
| logD: | 3.8793 |
| logSw: | -4.3282 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.04 |
| InChI Key: | KIHOYTAZRKIDAN-ZDUSSCGKSA-N |