2-cyano-3-[1-(3-methylbenzyl)-1H-indol-3-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(3-methylbenzyl)-1H-indol-3-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(3-methylbenzyl)-1H-indol-3-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 8013-0619 |
| Compound Name: | 2-cyano-3-[1-(3-methylbenzyl)-1H-indol-3-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 467.47 |
| Molecular Formula: | C23 H16 F3 N5 O S |
| Smiles: | Cc1cccc(Cn2cc(/C=C(/C#N)C(Nc3nnc(C(F)(F)F)s3)=O)c3ccccc23)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.72 |
| logD: | 0.76 |
| logSw: | -6.47 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 131.28 |
| InChI Key: | SECZTJIWRBPAOW-UHFFFAOYSA-N |