2-cyano-3-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0840 |
| Compound Name: | 2-cyano-3-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C22 H23 N5 O3 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2cc(C)n(c3ccc(C)cc3C)c2C)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.32 |
| logD: | 2.65 |
| logSw: | -4.98 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 181.23 |
| InChI Key: | QTFLBPMLPTWCQD-UHFFFAOYSA-N |