4-{[(adamantan-1-yl)methyl]amino}-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-{[(adamantan-1-yl)methyl]amino}-5-nitrobenzene-1,2-dicarbonitrile
4-{[(adamantan-1-yl)methyl]amino}-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8016-4877 |
| Compound Name: | 4-{[(adamantan-1-yl)methyl]amino}-5-nitrobenzene-1,2-dicarbonitrile |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C19 H20 N4 O2 |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)CNc1cc(C#N)c(C#N)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6953 |
| logD: | 4.6953 |
| logSw: | -4.7146 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.002 |
| InChI Key: | ASUFDUNKQBJZNU-UHFFFAOYSA-N |