4-({({2-[(adamantan-1-yl)sulfanyl]ethyl}amino)[(2-phenylethyl)amino]methylidene}amino)benzoic acid
Chemical Structure Depiction of
4-({({2-[(adamantan-1-yl)sulfanyl]ethyl}amino)[(2-phenylethyl)amino]methylidene}amino)benzoic acid
4-({({2-[(adamantan-1-yl)sulfanyl]ethyl}amino)[(2-phenylethyl)amino]methylidene}amino)benzoic acid
Compound characteristics
| Compound ID: | G537-1707 |
| Compound Name: | 4-({({2-[(adamantan-1-yl)sulfanyl]ethyl}amino)[(2-phenylethyl)amino]methylidene}amino)benzoic acid |
| Molecular Weight: | 591.69 |
| Molecular Formula: | C28 H35 N3 O2 S |
| Salt: | CF3COOH |
| Smiles: | C(CN/C(NCCSC12CC3CC(CC(C3)C2)C1)=N/c1ccc(cc1)C(O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9318 |
| logD: | 5.9318 |
| logSw: | -5.9396 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 57.119 |
| InChI Key: | HYTYKNCCSIWPKG-UHFFFAOYSA-N |