4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7398 |
| Compound Name: | 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 549.54 |
| Molecular Formula: | C28 H27 N3 O9 |
| Smiles: | COc1c(cc2c(c1OC)OCO2)C1C(=C(C(N1CCCn1ccnc1)=O)O)C(c1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3823 |
| logD: | 1.1393 |
| logSw: | -2.0023 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.663 |
| InChI Key: | NEDNVSZUOIBOLL-QFIPXVFZSA-N |