methyl 2-[(5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
Chemical Structure Depiction of
methyl 2-[(5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
methyl 2-[(5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | C663-0726 |
| Compound Name: | methyl 2-[(5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate |
| Molecular Weight: | 455.48 |
| Molecular Formula: | C18 H16 F3 N5 O2 S2 |
| Smiles: | CC(C(=O)OC)Sc1nnc(CSc2ncccn2)n1c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.359 |
| logD: | 3.3557 |
| logSw: | -3.7051 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.291 |
| InChI Key: | VJJHDAHHXJYSAL-NSHDSACASA-N |