4-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}-3-(2-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}-3-(2-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
4-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}-3-(2-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0230 |
| Compound Name: | 4-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}-3-(2-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 570.54 |
| Molecular Formula: | C24 H29 F N4 O4 |
| Salt: | CF3COOH |
| Smiles: | CCN(CC)C(CN1CCN(CC1)c1ccc(cc1NC(c1ccccc1F)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9525 |
| logD: | 1.0582 |
| logSw: | -3.5076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.408 |
| InChI Key: | AMSZBVNQSPMDNO-UHFFFAOYSA-N |