2-cyano-3-[1-(2-methoxy-4-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2-methoxy-4-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-[1-(2-methoxy-4-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0922 |
| Compound Name: | 2-cyano-3-[1-(2-methoxy-4-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 421.41 |
| Molecular Formula: | C21 H19 N5 O5 |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)c(C)n1c1ccc(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.91 |
| logD: | 3.03 |
| logSw: | -4.95 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 238.3 |
| InChI Key: | RZHOUHZZLDHYID-UHFFFAOYSA-N |