4-[({[1-(adamantan-1-yl)propan-2-yl]amino}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[({[1-(adamantan-1-yl)propan-2-yl]amino}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[({[1-(adamantan-1-yl)propan-2-yl]amino}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-1702 |
| Compound Name: | 4-[({[1-(adamantan-1-yl)propan-2-yl]amino}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 573.66 |
| Molecular Formula: | C29 H37 N3 O2 |
| Salt: | CF3COOH |
| Smiles: | CC(CC12CC3CC(CC(C3)C2)C1)NC(\NCCc1ccccc1)=N/c1ccc(cc1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6363 |
| logD: | 6.6363 |
| logSw: | -5.8042 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 56.719 |
| InChI Key: | ZCSHHSSWHSZOSV-IQLHJDJVSA-N |