methyl 2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]butanoate
Chemical Structure Depiction of
methyl 2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]butanoate
methyl 2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]butanoate
Compound characteristics
| Compound ID: | C663-0701 |
| Compound Name: | methyl 2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]butanoate |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C18 H19 N5 O2 S2 |
| Smiles: | CCC(C(=O)OC)Sc1nnc(CSc2ncccn2)n1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9287 |
| logD: | 2.9285 |
| logSw: | -3.2058 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.291 |
| InChI Key: | OJOYRRLUMLOZLQ-AWEZNQCLSA-N |