2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-{1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-{1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylamide
2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-{1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylamide
Compound characteristics
| Compound ID: | C370-5324 |
| Compound Name: | 2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-{1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylamide |
| Molecular Weight: | 445.46 |
| Molecular Formula: | C21 H18 F3 N5 O S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2cccn2c2cccc(c2)C(F)(F)F)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.72 |
| logD: | 3.88 |
| logSw: | -6.69 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 137.53 |
| InChI Key: | XSAQBLMVDHQYKY-UHFFFAOYSA-N |