methyl {[4-(2-phenylethyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-(2-phenylethyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[4-(2-phenylethyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C663-0695 |
| Compound Name: | methyl {[4-(2-phenylethyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C18 H19 N5 O2 S2 |
| Smiles: | COC(CSc1nnc(CSc2ncccn2)n1CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1735 |
| logD: | 2.173 |
| logSw: | -2.2077 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.932 |
| InChI Key: | XDZZIBIUTVLBIO-UHFFFAOYSA-N |