4-({({3-[(adamantan-1-yl)oxy]propyl}amino)[(3-ethoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-({({3-[(adamantan-1-yl)oxy]propyl}amino)[(3-ethoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
4-({({3-[(adamantan-1-yl)oxy]propyl}amino)[(3-ethoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-1220 |
| Compound Name: | 4-({({3-[(adamantan-1-yl)oxy]propyl}amino)[(3-ethoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 571.64 |
| Molecular Formula: | C26 H39 N3 O4 |
| Salt: | CF3COOH |
| Smiles: | CCOCCCN/C(NCCCOC12CC3CC(CC(C3)C2)C1)=N/c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9745 |
| logD: | 4.9745 |
| logSw: | -4.3182 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.596 |
| InChI Key: | RPABWEDWOOVWIA-UHFFFAOYSA-N |