3-[1-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[1-(5-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0864 |
| Compound Name: | 3-[1-(5-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 490 |
| Molecular Formula: | C21 H20 Cl N5 O3 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2cc(C)n(c3cc(ccc3C)[Cl])c2C)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.42 |
| logD: | 2.76 |
| logSw: | -5.3 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 192.11 |
| InChI Key: | SGYOWHDHZTZGSW-UHFFFAOYSA-N |