2-cyano-N~1~-[5-(phenoxymethyl)-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-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-3-{1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylamide
2-cyano-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-3-{1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylamide
Compound characteristics
| Compound ID: | C370-4113 |
| Compound Name: | 2-cyano-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-3-{1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylamide |
| Molecular Weight: | 495.48 |
| Molecular Formula: | C24 H16 F3 N5 O2 S |
| Smiles: | C(c1nnc(NC(C(=C/c2cccn2c2cccc(c2)C(F)(F)F)\C#N)=O)s1)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.68 |
| logD: | 3.56 |
| logSw: | -6.88 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 145.87 |
| InChI Key: | YFTIJSWITHPPKO-UHFFFAOYSA-N |