methyl [(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
methyl [(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | C663-0730 |
| Compound Name: | methyl [(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C18 H19 N5 O2 S2 |
| Smiles: | Cc1cc(C)nc(n1)SCc1nnc(n1c1ccccc1)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.4485 |
| logD: | 2.4483 |
| logSw: | -2.6865 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.445 |
| InChI Key: | BDVPSTGXVRCNFP-UHFFFAOYSA-N |