3-{1-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-[5-(2-thienylmethyl)-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-(2-thienylmethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{1-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-[5-(2-thienylmethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-4962 |
| Compound Name: | 3-{1-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-[5-(2-thienylmethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 519.95 |
| Molecular Formula: | C22 H13 Cl F3 N5 O S2 |
| Smiles: | C(c1cccs1)c1nnc(NC(C(=C/c2cccn2c2cc(ccc2[Cl])C(F)(F)F)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.97 |
| logD: | 4.68 |
| logSw: | -7.35 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 126.99 |
| InChI Key: | NNPJZIGFEBCQBR-UHFFFAOYSA-N |