3-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0900 |
| Compound Name: | 3-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C21 H20 N4 O2 |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)c(C)n1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.01 |
| logD: | 3.13 |
| logSw: | -4.5 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 142.45 |
| InChI Key: | ZTNFVUOMBDFQDN-UHFFFAOYSA-N |