ethyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
ethyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | C663-0751 |
| Compound Name: | ethyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C21 H24 F N5 O2 S2 |
| Smiles: | CCC(C(=O)OCC)Sc1nnc(CSc2nc(C)cc(C)n2)n1c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2539 |
| logD: | 4.2537 |
| logSw: | -4.2211 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.62 |
| InChI Key: | LSSHRXJGVBMRJC-KRWDZBQOSA-N |