5-(3-methylbenzamido)-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(3-methylbenzamido)-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-(3-methylbenzamido)-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1671 |
| Compound Name: | 5-(3-methylbenzamido)-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 552.55 |
| Molecular Formula: | C24 H30 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | CCCNC(CN1CCN(CC1)c1ccc(cc1C(O)=O)NC(c1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2477 |
| logD: | 0.9971 |
| logSw: | -3.3992 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.014 |
| InChI Key: | DGXLSYQZQGPNPY-UHFFFAOYSA-N |