3-(2-methylbenzamido)-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-(2-methylbenzamido)-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-(2-methylbenzamido)-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0271 |
| Compound Name: | 3-(2-methylbenzamido)-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 552.55 |
| Molecular Formula: | C24 H30 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | CC(C)NC(CN1CCN(CC1)c1ccc(cc1NC(c1ccccc1C)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4794 |
| logD: | 1.585 |
| logSw: | -3.5888 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.449 |
| InChI Key: | VNVLGZKOEQTQLE-UHFFFAOYSA-N |