4-{[1-(adamantan-1-yl)ethyl]amino}-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-{[1-(adamantan-1-yl)ethyl]amino}-5-nitrobenzene-1,2-dicarbonitrile
4-{[1-(adamantan-1-yl)ethyl]amino}-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8016-8251 |
| Compound Name: | 4-{[1-(adamantan-1-yl)ethyl]amino}-5-nitrobenzene-1,2-dicarbonitrile |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C20 H22 N4 O2 |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)C(C)Nc1cc(C#N)c(C#N)cc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6373 |
| logD: | 4.6373 |
| logSw: | -4.5303 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.165 |
| InChI Key: | SSCRIPTVQFSGHN-PGBBXINNSA-N |