4-[({[2-(adamantan-1-yl)ethyl]amino}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[({[2-(adamantan-1-yl)ethyl]amino}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[({[2-(adamantan-1-yl)ethyl]amino}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-1586 |
| Compound Name: | 4-[({[2-(adamantan-1-yl)ethyl]amino}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 559.63 |
| Molecular Formula: | C28 H35 N3 O2 |
| Salt: | CF3COOH |
| Smiles: | C(CNC(/NCCC12CC3CC(CC(C3)C2)C1)=N/c1ccc(cc1)C(O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0088 |
| logD: | 6.0088 |
| logSw: | -5.9569 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 57.119 |
| InChI Key: | BCGRRYGRGBPJGG-UHFFFAOYSA-N |