4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(pyridin-4-yl)-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-(pyridin-4-yl)-1,5-dihydro-2H-pyrrol-2-one
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(pyridin-4-yl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | Y070-1498 |
| Compound Name: | 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(pyridin-4-yl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C23 H25 N3 O5 |
| Smiles: | CN(C)CCCN1C(C(=C(C1=O)O)C(c1ccc2c(c1)OCCO2)=O)c1ccncc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5504 |
| logD: | -1.3984 |
| logSw: | -1.2706 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.194 |
| InChI Key: | GUIZRWUUWNXIFB-FQEVSTJZSA-N |