4-[({[(adamantan-1-yl)methyl]amino}{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid
Chemical Structure Depiction of
4-[({[(adamantan-1-yl)methyl]amino}{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid
4-[({[(adamantan-1-yl)methyl]amino}{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid
Compound characteristics
| Compound ID: | G537-1520 |
| Compound Name: | 4-[({[(adamantan-1-yl)methyl]amino}{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid |
| Molecular Weight: | 545.6 |
| Molecular Formula: | C27 H33 N3 O2 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(CNC(/NCC23CC4CC(CC(C4)C3)C2)=N/c2ccc(cc2)C(O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0466 |
| logD: | 6.0466 |
| logSw: | -5.4838 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 57.436 |
| InChI Key: | CZNPNQBZLXGIOK-UHFFFAOYSA-N |