ethyl 5-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
ethyl 5-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5072-0524 |
| Compound Name: | ethyl 5-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 414.89 |
| Molecular Formula: | C22 H23 Cl N2 O4 |
| Smiles: | CCOC(C1=C(C)NC(=C\c2cc(C)n(c3ccc(c(c3)[Cl])OC)c2C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1503 |
| logD: | 4.0839 |
| logSw: | -4.4189 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.36 |
| InChI Key: | IYRDAHIPIKQHHT-UHFFFAOYSA-N |