methyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C663-0736 |
| Compound Name: | methyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C19 H21 N5 O3 S2 |
| Smiles: | Cc1cc(C)nc(n1)SCc1nnc(n1c1ccc(cc1)OC)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5525 |
| logD: | 2.5522 |
| logSw: | -2.8358 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.989 |
| InChI Key: | CYPQYVCAGXEKJW-UHFFFAOYSA-N |