2-cyano-3-[1-(3,4-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-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
Compound ID: | C355-0842 |
Compound Name: | 2-cyano-3-[1-(3,4-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)c(C)c3)c2C)\C#N)=O)sn1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.34 |
logD: | 2.68 |
logSw: | -5.16 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 183.73 |
InChI Key: | DMQITQISJAACLY-UHFFFAOYSA-N |