5-benzamido-2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-benzamido-2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-benzamido-2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0676 |
| Compound Name: | 5-benzamido-2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 573.53 |
| Molecular Formula: | C26 H25 N3 O5 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)c1ccc(cc1C(O)=O)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9362 |
| logD: | 3.9362 |
| logSw: | -4.0243 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.545 |
| InChI Key: | VMIBWGIGCRKMAM-UHFFFAOYSA-N |