3-[1-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[1-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
3-[1-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-0768 |
| Compound Name: | 3-[1-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 456.95 |
| Molecular Formula: | C22 H21 Cl N4 O3 S |
| Smiles: | Cc1csc(NC(C(=C/c2cc(C)n(c3cc(c(cc3OC)OC)[Cl])c2C)\C#N)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.6 |
| logD: | 4.11 |
| logSw: | -5.41 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.14 |
| InChI Key: | PBYKFHJQNFYSDA-UHFFFAOYSA-N |