4-({(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)[(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-({(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)[(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
4-({(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)[(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-5984 |
| Compound Name: | 4-({(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)[(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 581.59 |
| Molecular Formula: | C25 H33 N5 O4 |
| Salt: | CF3COOH |
| Smiles: | COCCNC(CN1CCN(CC1)C(/NCCc1ccccc1)=N/c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2743 |
| logD: | 2.2743 |
| logSw: | -2.6158 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.004 |
| InChI Key: | WNRMATFCSKUKGN-UHFFFAOYSA-N |