methyl 4-{[1-(2-chlorophenyl)-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-(2-chlorophenyl)-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-(2-chlorophenyl)-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: | 5752-2886 |
| Compound Name: | methyl 4-{[1-(2-chlorophenyl)-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: | 479.02 |
| Molecular Formula: | C28 H31 Cl N2 O3 |
| Smiles: | CC1=C(/C(=C/c2cc(C)n(c3ccccc3[Cl])c2C)C(N1CCC1CCCCC=1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.3349 |
| logD: | 5.3349 |
| logSw: | -5.7903 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.645 |
| InChI Key: | MPHWKGSIFIJJCK-UHFFFAOYSA-N |