ethyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
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}propanoate
ethyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | C663-0750 |
| Compound Name: | ethyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C20 H22 F N5 O2 S2 |
| Smiles: | CCOC(C(C)Sc1nnc(CSc2nc(C)cc(C)n2)n1c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7553 |
| logD: | 3.7547 |
| logSw: | -3.8419 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.62 |
| InChI Key: | YYKUYZOYOAMDHC-AWEZNQCLSA-N |