methyl 2-{[4-(4-ethoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[4-(4-ethoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
methyl 2-{[4-(4-ethoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | C663-0712 |
| Compound Name: | methyl 2-{[4-(4-ethoxyphenyl)-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: | CCOc1ccc(cc1)n1c(CSc2ncccn2)nnc1SC(C)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9021 |
| logD: | 2.9015 |
| logSw: | -3.2256 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.415 |
| InChI Key: | MIKLTGCBDXFAIJ-ZDUSSCGKSA-N |