ethyl [(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
ethyl [(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | C663-0698 |
| Compound Name: | ethyl [(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C17 H17 N5 O2 S2 |
| Smiles: | CCOC(CSc1nnc(CSc2ncccn2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2877 |
| logD: | 2.2874 |
| logSw: | -2.3921 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.276 |
| InChI Key: | LNFOCCPKUXOMGX-UHFFFAOYSA-N |