4-[({[(adamantan-1-yl)methyl]amino}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[({[(adamantan-1-yl)methyl]amino}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[({[(adamantan-1-yl)methyl]amino}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-1703 |
| Compound Name: | 4-[({[(adamantan-1-yl)methyl]amino}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 545.6 |
| Molecular Formula: | C27 H33 N3 O2 |
| Salt: | CF3COOH |
| Smiles: | C(CN/C(NCC12CC3CC(CC(C3)C2)C1)=N/c1ccc(cc1)C(O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8586 |
| logD: | 5.8586 |
| logSw: | -5.9312 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 57.278 |
| InChI Key: | QJOXCQIISNGEIT-UHFFFAOYSA-N |