3-{1-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{1-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{1-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-3686 |
| Compound Name: | 3-{1-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 451.86 |
| Molecular Formula: | C19 H13 Cl F3 N5 O S |
| Smiles: | CCc1nnc(NC(C(=C/c2cccn2c2cc(ccc2[Cl])C(F)(F)F)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.32 |
| logD: | 3.49 |
| logSw: | -6.27 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 133.17 |
| InChI Key: | OOKFEHBOCQSCPI-UHFFFAOYSA-N |