methyl 4-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5752-2237 |
| Compound Name: | methyl 4-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 412.92 |
| Molecular Formula: | C23 H25 Cl N2 O3 |
| Smiles: | CCN1C(C)=C(/C(=C/c2cc(C)n(c3ccc(C)c(c3)[Cl])c2C)C1=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5111 |
| logD: | 4.5111 |
| logSw: | -4.5044 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.771 |
| InChI Key: | LMGMTQNRBNCUKX-UHFFFAOYSA-N |