3-(4-fluorobenzamido)-4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-(4-fluorobenzamido)-4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-(4-fluorobenzamido)-4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0176 |
| Compound Name: | 3-(4-fluorobenzamido)-4-(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(cc1NC(c1ccc(cc1)F)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5386 |
| logD: | 0.6442 |
| logSw: | -2.7915 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.659 |
| InChI Key: | ZBQOLDVULVLONR-UHFFFAOYSA-N |