2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0674 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 587.55 |
| Molecular Formula: | C27 H27 N3 O5 |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)C(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4123 |
| logD: | 4.4123 |
| logSw: | -4.1529 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.545 |
| InChI Key: | NIEZCSAVSVJPQQ-UHFFFAOYSA-N |