methyl 4-{1-[2-(diethylamino)ethyl]-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-[2-(diethylamino)ethyl]-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-[2-(diethylamino)ethyl]-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: | Y070-2473 |
| Compound Name: | methyl 4-{1-[2-(diethylamino)ethyl]-4-hydroxy-3-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C28 H32 N2 O6 |
| Smiles: | CCN(CC)CCN1C(C(=C(C1=O)O)C(c1ccc2c(CC(C)O2)c1)=O)c1ccc(cc1)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0706 |
| logD: | 2.9645 |
| logSw: | -4.0078 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.063 |
| InChI Key: | LLVDAGDUSDBRMV-UHFFFAOYSA-N |