methyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-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-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
methyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | C663-0741 |
| Compound Name: | methyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C20 H23 N5 O3 S2 |
| Smiles: | CC(C(=O)OC)Sc1nnc(CSc2nc(C)cc(C)n2)n1c1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2675 |
| logD: | 3.2669 |
| logSw: | -3.3778 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.584 |
| InChI Key: | NLMTVVOSYSSFTF-AWEZNQCLSA-N |