4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(pyrrolidin-1-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-(pyrrolidin-1-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-(pyrrolidin-1-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7279 |
| Compound Name: | 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 524.53 |
| Molecular Formula: | C27 H28 N2 O9 |
| Smiles: | COc1cc(C2C(=C(C(N2CCN2CCCC2)=O)O)C(c2ccc3c(c2)OCO3)=O)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5513 |
| logD: | 1.1511 |
| logSw: | -3.0064 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.101 |
| InChI Key: | TZBDNLABQJHSLT-NRFANRHFSA-N |