methyl 4-{1-[3-(dimethylamino)propyl]-4-hydroxy-3-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{1-[3-(dimethylamino)propyl]-4-hydroxy-3-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
methyl 4-{1-[3-(dimethylamino)propyl]-4-hydroxy-3-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Compound characteristics
| Compound ID: | Y070-2435 |
| Compound Name: | methyl 4-{1-[3-(dimethylamino)propyl]-4-hydroxy-3-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate |
| Molecular Weight: | 478.54 |
| Molecular Formula: | C27 H30 N2 O6 |
| Smiles: | CC1Cc2cc(ccc2O1)C(C1C(c2ccc(cc2)C(=O)OC)N(CCCN(C)C)C(C=1O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2095 |
| logD: | 1.2607 |
| logSw: | -3.1435 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.518 |
| InChI Key: | BUEGZLXPAHQKFY-UHFFFAOYSA-N |