methyl 4-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-[2-(cyclohex-1-en-1-yl)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-[2-(cyclohex-1-en-1-yl)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-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5752-2898 |
| Compound Name: | methyl 4-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 493.05 |
| Molecular Formula: | C29 H33 Cl N2 O3 |
| Smiles: | CC1=C(/C(=C/c2cc(C)n(c3ccc(C)c(c3)[Cl])c2C)C(N1CCC1CCCCC=1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.1683 |
| logD: | 6.1683 |
| logSw: | -6.1091 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.946 |
| InChI Key: | PXZSJESGIISUNN-UHFFFAOYSA-N |