2-{[2-(adamantan-1-yl)ethyl](ethyl)amino}-5-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{[2-(adamantan-1-yl)ethyl](ethyl)amino}-5-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-{[2-(adamantan-1-yl)ethyl](ethyl)amino}-5-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1535 |
| Compound Name: | 2-{[2-(adamantan-1-yl)ethyl](ethyl)amino}-5-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 578.6 |
| Molecular Formula: | C28 H33 F N2 O3 |
| Salt: | CF3COOH |
| Smiles: | CCN(CCC12CC3CC(CC(C3)C2)C1)c1ccc(cc1C(O)=O)NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4492 |
| logD: | 4.1986 |
| logSw: | -5.5911 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.188 |
| InChI Key: | UHUFJRPJVNWVQL-UHFFFAOYSA-N |