ethyl 2-{[4-(4-methoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[4-(4-methoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[4-(4-methoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | C663-0704 |
| Compound Name: | ethyl 2-{[4-(4-methoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C19 H21 N5 O3 S2 |
| Smiles: | CCOC(C(C)Sc1nnc(CSc2ncccn2)n1c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9566 |
| logD: | 2.956 |
| logSw: | -3.269 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.415 |
| InChI Key: | HNVZHBGWSWNQDH-ZDUSSCGKSA-N |