methyl 2-{[4-(4-chlorophenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Chemical Structure Depiction of
methyl 2-{[4-(4-chlorophenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
methyl 2-{[4-(4-chlorophenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | C663-0723 |
| Compound Name: | methyl 2-{[4-(4-chlorophenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate |
| Molecular Weight: | 435.95 |
| Molecular Formula: | C18 H18 Cl N5 O2 S2 |
| Smiles: | CCC(C(=O)OC)Sc1nnc(CSc2ncccn2)n1c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6449 |
| logD: | 3.6448 |
| logSw: | -3.9833 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.291 |
| InChI Key: | RYOQNNHEICCYJT-AWEZNQCLSA-N |