2-cyano-3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0917 |
| Compound Name: | 2-cyano-3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 405.41 |
| Molecular Formula: | C21 H19 N5 O4 |
| Smiles: | Cc1ccc(cc1n1c(C)cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)c1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3 |
| logD: | 3.43 |
| logSw: | -5.21 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 229.03 |
| InChI Key: | OYHZEPJKQPIKRW-UHFFFAOYSA-N |