3-(1-{2-[2-(sec-butyl)phenoxy]ethyl}-1H-indol-3-yl)-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-(1-{2-[2-(sec-butyl)phenoxy]ethyl}-1H-indol-3-yl)-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-(1-{2-[2-(sec-butyl)phenoxy]ethyl}-1H-indol-3-yl)-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 3948-1007 |
| Compound Name: | 3-(1-{2-[2-(sec-butyl)phenoxy]ethyl}-1H-indol-3-yl)-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 539.58 |
| Molecular Formula: | C27 H24 F3 N5 O2 S |
| Smiles: | CCC(C)c1ccccc1OCCn1cc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.94 |
| logD: | 1.97 |
| logSw: | -7.5 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 133.22 |
| InChI Key: | XXQUMAKUSHPUFT-KRWDZBQOSA-N |