ethyl 2-{[4-(4-ethoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 2-{[4-(4-ethoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
ethyl 2-{[4-(4-ethoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | C663-0710 |
| Compound Name: | ethyl 2-{[4-(4-ethoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C21 H25 N5 O3 S2 |
| Smiles: | CCC(C(=O)OCC)Sc1nnc(CSc2ncccn2)n1c1ccc(cc1)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8418 |
| logD: | 3.8416 |
| logSw: | -3.8316 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.995 |
| InChI Key: | TYRXZYAMKMLIRF-KRWDZBQOSA-N |