2-(2-fluorophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Chemical Structure Depiction of
2-(2-fluorophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
2-(2-fluorophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Compound characteristics
| Compound ID: | 4386-4349 |
| Compound Name: | 2-(2-fluorophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane |
| Molecular Weight: | 350.35 |
| Molecular Formula: | C16 H19 F N4 O4 |
| Smiles: | CC1(C)C2(CN3CC1(CN(C2)C3c1ccccc1F)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.556 |
| logD: | 2.556 |
| logSw: | -2.5485 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.782 |
| InChI Key: | NLBKEHAWOKLJLX-UHFFFAOYSA-N |