3-{1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0985 |
| Compound Name: | 3-{1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 438.91 |
| Molecular Formula: | C23 H23 Cl N4 O3 |
| Smiles: | Cc1cc(cc(C)c1[Cl])OCCCn1cccc1/C=C(/C#N)C(Nc1cc(C)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.98 |
| logD: | 5.14 |
| logSw: | -6.83 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 154.3 |
| InChI Key: | JYBNTTKLVSVZMO-UHFFFAOYSA-N |