3-[1-(2-chlorophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[1-(2-chlorophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[1-(2-chlorophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C370-6086 |
| Compound Name: | 3-[1-(2-chlorophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 433.89 |
| Molecular Formula: | C17 H12 Cl N5 O3 S2 |
| Smiles: | CS(c1nc(NC(C(=C/c2cccn2c2ccccc2[Cl])\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.05 |
| logD: | 0.79 |
| logSw: | -3.95 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 196.5 |
| InChI Key: | GBXGYMQJNVAZSO-UHFFFAOYSA-N |