ethyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-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-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
ethyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | C663-0745 |
| Compound Name: | ethyl 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate |
| Molecular Weight: | 487.64 |
| Molecular Formula: | C23 H29 N5 O3 S2 |
| Smiles: | CCC(C(=O)OCC)Sc1nnc(CSc2nc(C)cc(C)n2)n1c1ccc(cc1)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5938 |
| logD: | 4.5936 |
| logSw: | -4.3957 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.744 |
| InChI Key: | LDKNYENRHUOAEP-IBGZPJMESA-N |