methyl 5-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 5-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5072-0518 |
| Compound Name: | methyl 5-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 384.86 |
| Molecular Formula: | C21 H21 Cl N2 O3 |
| Smiles: | CC1=C(C(/C(=C\c2cc(C)n(c3ccc(C)c(c3)[Cl])c2C)N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.4576 |
| logD: | 4.3911 |
| logSw: | -4.4836 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.149 |
| InChI Key: | YANQHKPQYWCPNB-UHFFFAOYSA-N |