1-[2-(diethylamino)ethyl]-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-{3-[(prop-2-en-1-yl)oxy]phenyl}-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
1-[2-(diethylamino)ethyl]-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-{3-[(prop-2-en-1-yl)oxy]phenyl}-1,5-dihydro-2H-pyrrol-2-one
1-[2-(diethylamino)ethyl]-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-{3-[(prop-2-en-1-yl)oxy]phenyl}-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | Y070-2425 |
| Compound Name: | 1-[2-(diethylamino)ethyl]-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-{3-[(prop-2-en-1-yl)oxy]phenyl}-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C29 H34 N2 O5 |
| Smiles: | CCN(CC)CCN1C(C(=C(C1=O)O)C(c1ccc2c(CC(C)O2)c1)=O)c1cccc(c1)OCC=C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5518 |
| logD: | 3.4456 |
| logSw: | -4.2011 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.307 |
| InChI Key: | RQAVDMOYMXSNOP-UHFFFAOYSA-N |