methyl 4-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5752-2484 |
| Compound Name: | methyl 4-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C27 H32 N2 O4 |
| Smiles: | CC1=C(/C(=C/c2cc(C)n(c3cc(C)cc(C)c3)c2C)C(N1CC1CCCO1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9945 |
| logD: | 3.9945 |
| logSw: | -4.1145 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.43 |
| InChI Key: | BRXMBGITQONWKG-HSZRJFAPSA-N |