1-[2-(dimethylamino)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-(dimethylamino)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-(dimethylamino)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: | Y070-3080 |
| Compound Name: | 1-[2-(dimethylamino)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: | 462.55 |
| Molecular Formula: | C27 H30 N2 O5 |
| Smiles: | CC1Cc2cc(ccc2O1)C(C1C(c2cccc(c2)OCC=C)N(CCN(C)C)C(C=1O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7446 |
| logD: | 2.9124 |
| logSw: | -3.9023 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.762 |
| InChI Key: | ZXSNQQAIKRUBPL-UHFFFAOYSA-N |