4-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
Chemical Structure Depiction of
4-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
4-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 5593-0354 |
| Compound Name: | 4-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2,5-dioxopyrrolidin-1-yl)benzoic acid |
| Molecular Weight: | 437.45 |
| Molecular Formula: | C23 H23 N3 O6 |
| Smiles: | C1C(C(N(C1=O)c1ccc(cc1)C(O)=O)=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2573 |
| logD: | 1.2573 |
| logSw: | -1.9622 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.052 |
| InChI Key: | ZDKJHAGENDGFJN-SFHVURJKSA-N |