4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-3-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-3-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-3-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0704 |
| Compound Name: | 4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-3-pentanamidobenzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 518.53 |
| Molecular Formula: | C21 H32 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | CCCCC(Nc1cc(ccc1N1CCN(CC1)CC(NC(C)C)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7508 |
| logD: | 0.8564 |
| logSw: | -3.0792 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.507 |
| InChI Key: | BDNVRWFFNOOLJG-UHFFFAOYSA-N |