5-(4-fluorobenzamido)-2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(4-fluorobenzamido)-2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
5-(4-fluorobenzamido)-2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-2242 |
| Compound Name: | 5-(4-fluorobenzamido)-2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 572.51 |
| Molecular Formula: | C23 H27 F N4 O5 |
| Salt: | CF3COOH |
| Smiles: | COCCNC(CN1CCN(CC1)c1ccc(cc1C(O)=O)NC(c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1728 |
| logD: | -0.0779 |
| logSw: | -2.9258 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.357 |
| InChI Key: | NRRIGGHOLKORSD-UHFFFAOYSA-N |