4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7236 |
| Compound Name: | 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 540.53 |
| Molecular Formula: | C27 H28 N2 O10 |
| Smiles: | COc1cc(C2C(=C(C(N2CCN2CCOCC2)=O)O)C(c2ccc3c(c2)OCO3)=O)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8086 |
| logD: | 1.7936 |
| logSw: | -2.4508 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.643 |
| InChI Key: | ZVARSYGLQRHYQR-NRFANRHFSA-N |