3-[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0901 |
| Compound Name: | 3-[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 410.86 |
| Molecular Formula: | C21 H19 Cl N4 O3 |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)c(C)n1c1ccc(c(c1)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 4.18 |
| logD: | 3.31 |
| logSw: | -4.93 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 151.13 |
| InChI Key: | OLQITFJKFAIVPA-UHFFFAOYSA-N |