4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0691 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-pentanamidobenzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 553.53 |
| Molecular Formula: | C24 H29 N3 O5 |
| Salt: | CF3COOH |
| Smiles: | CCCCC(Nc1cc(ccc1N1CCN(CC1)Cc1ccc2c(c1)OCO2)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8974 |
| logD: | 3.8974 |
| logSw: | -3.8399 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.906 |
| InChI Key: | BKRORZRRMMOKHR-UHFFFAOYSA-N |