methyl 1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5752-2890 |
| Compound Name: | methyl 1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 472.63 |
| Molecular Formula: | C30 H36 N2 O3 |
| Smiles: | CC1=C(/C(=C/c2cc(C)n(c3c(C)cccc3C)c2C)C(N1CCC1CCCCC=1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.6282 |
| logD: | 5.6282 |
| logSw: | -5.3181 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.344 |
| InChI Key: | ATNBIFKINFTNDE-UHFFFAOYSA-N |