methyl {[4-(4-chlorophenyl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-(4-chlorophenyl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[4-(4-chlorophenyl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C663-0754 |
| Compound Name: | methyl {[4-(4-chlorophenyl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 435.95 |
| Molecular Formula: | C18 H18 Cl N5 O2 S2 |
| Smiles: | Cc1cc(C)nc(n1)SCc1nnc(n1c1ccc(cc1)[Cl])SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1648 |
| logD: | 3.1645 |
| logSw: | -3.4357 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.445 |
| InChI Key: | PAAKPMIRDCBZIN-UHFFFAOYSA-N |