ethyl 2-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
Chemical Structure Depiction of
ethyl 2-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
ethyl 2-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
Compound characteristics
| Compound ID: | V001-8708 |
| Compound Name: | ethyl 2-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate |
| Molecular Weight: | 411.4 |
| Molecular Formula: | C18 H16 F3 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C(C)Sc1nnc(c2ccco2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.339 |
| logD: | 4.3384 |
| logSw: | -4.3286 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.316 |
| InChI Key: | NKKDGQZDLZUORB-NSHDSACASA-N |