2-cyano-3-{1-[3-(3,5-dimethylphenoxy)propyl]-1H-pyrrol-2-yl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{1-[3-(3,5-dimethylphenoxy)propyl]-1H-pyrrol-2-yl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-{1-[3-(3,5-dimethylphenoxy)propyl]-1H-pyrrol-2-yl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0977 |
| Compound Name: | 2-cyano-3-{1-[3-(3,5-dimethylphenoxy)propyl]-1H-pyrrol-2-yl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C23 H24 N4 O3 |
| Smiles: | Cc1cc(C)cc(c1)OCCCn1cccc1/C=C(/C#N)C(Nc1cc(C)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.23 |
| logD: | 4.39 |
| logSw: | -6.01 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 160.33 |
| InChI Key: | UMHQDPLHNNIAOR-UHFFFAOYSA-N |