4-[({[2-(adamantan-1-yl)ethyl]amino}[(3-methoxypropyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[({[2-(adamantan-1-yl)ethyl]amino}[(3-methoxypropyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[({[2-(adamantan-1-yl)ethyl]amino}[(3-methoxypropyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-1033 |
| Compound Name: | 4-[({[2-(adamantan-1-yl)ethyl]amino}[(3-methoxypropyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 527.58 |
| Molecular Formula: | C24 H35 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | COCCCNC(/NCCC12CC3CC(CC(C3)C2)C1)=N/c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7676 |
| logD: | 4.7676 |
| logSw: | -4.3213 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.733 |
| InChI Key: | QICGYXZUEDHPED-UHFFFAOYSA-N |