4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4,7-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-(4,7-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-(4,7-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: | 8020-7403 |
| Compound Name: | 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4,7-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: | COc1cc(C2C(=C(C(N2CCCn2ccnc2)=O)O)C(c2ccc3c(c2)OCCO3)=O)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1362 |
| logD: | 0.8932 |
| logSw: | -2.0193 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.26 |
| InChI Key: | VNAAMODWSOTRRY-QFIPXVFZSA-N |