4-[({[(adamantan-1-yl)methyl]amino}{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[({[(adamantan-1-yl)methyl]amino}{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[({[(adamantan-1-yl)methyl]amino}{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-2049 |
| Compound Name: | 4-[({[(adamantan-1-yl)methyl]amino}{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 549.57 |
| Molecular Formula: | C26 H30 F N3 O2 |
| Salt: | CF3COOH |
| Smiles: | C1C2CC3CC1CC(C2)(C3)CN\C(NCc1ccc(cc1)F)=N/c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6523 |
| logD: | 5.6523 |
| logSw: | -5.8389 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 57.436 |
| InChI Key: | NAYRNYTZXBACPU-UHFFFAOYSA-N |