butyl 4-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2,5-dioxopyrrolidin-1-yl)benzoate
Chemical Structure Depiction of
butyl 4-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2,5-dioxopyrrolidin-1-yl)benzoate
butyl 4-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2,5-dioxopyrrolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | 5593-1937 |
| Compound Name: | butyl 4-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2,5-dioxopyrrolidin-1-yl)benzoate |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C27 H31 N3 O6 |
| Smiles: | CCCCOC(c1ccc(cc1)N1C(CC(C1=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9952 |
| logD: | 2.6152 |
| logSw: | -3.0558 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.692 |
| InChI Key: | YZWQPKKPACWAMW-QFIPXVFZSA-N |