ethyl 2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
Chemical Structure Depiction of
ethyl 2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
ethyl 2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | C663-0699 |
| Compound Name: | ethyl 2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C18 H19 N5 O2 S2 |
| Smiles: | CCOC(C(C)Sc1nnc(CSc2ncccn2)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8526 |
| logD: | 2.852 |
| logSw: | -3.1741 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.871 |
| InChI Key: | BPAOKTZPJMLQPP-ZDUSSCGKSA-N |