methyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C663-0748 |
| Compound Name: | methyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C18 H18 F N5 O2 S2 |
| Smiles: | Cc1cc(C)nc(n1)SCc1nnc(n1c1ccc(cc1)F)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5992 |
| logD: | 2.5989 |
| logSw: | -2.8761 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.445 |
| InChI Key: | UOCXHXFIEUHQFO-UHFFFAOYSA-N |