4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-[4-(propan-2-yl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-[4-(propan-2-yl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-[4-(propan-2-yl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | Y070-1492 |
| Compound Name: | 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-[4-(propan-2-yl)phenyl]-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C27 H32 N2 O5 |
| Smiles: | CC(C)c1ccc(cc1)C1C(=C(C(N1CCCN(C)C)=O)O)C(c1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0463 |
| logD: | 1.0975 |
| logSw: | -3.0142 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.766 |
| InChI Key: | NETVDYFOBYVRNJ-DEOSSOPVSA-N |