3-[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-5559 |
| Compound Name: | 3-[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 453.83 |
| Molecular Formula: | C18 H11 Cl F3 N5 O2 S |
| Smiles: | COc1ccc(cc1[Cl])n1cccc1/C=C(/C#N)C(Nc1nnc(C(F)(F)F)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.72 |
| logD: | 0.28 |
| logSw: | -5.54 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 142.39 |
| InChI Key: | VMJQRFUUXBKZFS-UHFFFAOYSA-N |