2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0838 |
| Compound Name: | 2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C21 H21 N5 O3 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2cc(C)n(c3cccc(C)c3)c2C)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.83 |
| logD: | 2.17 |
| logSw: | -4.61 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 190.72 |
| InChI Key: | WWRGHOSRGADZRB-UHFFFAOYSA-N |