methyl 4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5752-2260 |
| Compound Name: | methyl 4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C25 H26 N2 O5 |
| Smiles: | CC1=C(/C(=C/c2cc(C)n(c3ccccc3C(=O)OC)c2C)C(N1CC=C)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2261 |
| logD: | 3.2261 |
| logSw: | -3.6285 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.898 |
| InChI Key: | QZTVATIBVHRSGA-UHFFFAOYSA-N |