4-{[({2-[(adamantan-1-yl)oxy]ethyl}amino)(benzylamino)methylidene]amino}benzoic acid
Chemical Structure Depiction of
4-{[({2-[(adamantan-1-yl)oxy]ethyl}amino)(benzylamino)methylidene]amino}benzoic acid
4-{[({2-[(adamantan-1-yl)oxy]ethyl}amino)(benzylamino)methylidene]amino}benzoic acid
Compound characteristics
| Compound ID: | G537-0965 |
| Compound Name: | 4-{[({2-[(adamantan-1-yl)oxy]ethyl}amino)(benzylamino)methylidene]amino}benzoic acid |
| Molecular Weight: | 561.6 |
| Molecular Formula: | C27 H33 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | C1C2CC3CC1CC(C2)(C3)OCCNC(\NCc1ccccc1)=N/c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5537 |
| logD: | 5.5537 |
| logSw: | -5.8565 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.505 |
| InChI Key: | FICJMCARIKZXBB-UHFFFAOYSA-N |