3-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0859 |
| Compound Name: | 3-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 493.96 |
| Molecular Formula: | C20 H17 Cl F N5 O3 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2cc(C)n(c3ccc(c(c3)[Cl])F)c2C)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.93 |
| logD: | 2.27 |
| logSw: | -4.69 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 199.01 |
| InChI Key: | QPSOJGPJLWYODA-UHFFFAOYSA-N |