methyl 4-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5752-2246 |
| Compound Name: | methyl 4-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 456.97 |
| Molecular Formula: | C25 H29 Cl N2 O4 |
| Smiles: | CC(C)CN1C(C)=C(/C(=C/c2cc(C)n(c3ccc(c(c3)[Cl])OC)c2C)C1=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5728 |
| logD: | 4.5728 |
| logSw: | -4.5854 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.677 |
| InChI Key: | PSWDNQWMDREJSP-UHFFFAOYSA-N |