methyl 4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2132 |
| Compound Name: | methyl 4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C21 H23 N O6 |
| Smiles: | CC1=C(/C(=C/c2ccc(cc2)C(=O)OC)C(N1CC1CCCO1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3792 |
| logD: | 2.3792 |
| logSw: | -2.4197 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.938 |
| InChI Key: | PNVQUNVZMYRQHS-MRXNPFEDSA-N |