methyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
methyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | C663-0747 |
| Compound Name: | methyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C21 H25 N5 O3 S2 |
| Smiles: | CCOc1ccc(cc1)n1c(CSc2nc(C)cc(C)n2)nnc1SC(C)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6541 |
| logD: | 3.6535 |
| logSw: | -3.7264 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.164 |
| InChI Key: | ASTQKLYFBVQQMS-HNNXBMFYSA-N |