6,6-dimethyl-2-(3-methylphenyl)-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Chemical Structure Depiction of
6,6-dimethyl-2-(3-methylphenyl)-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
6,6-dimethyl-2-(3-methylphenyl)-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Compound characteristics
| Compound ID: | 4333-0838 |
| Compound Name: | 6,6-dimethyl-2-(3-methylphenyl)-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane |
| Molecular Weight: | 346.38 |
| Molecular Formula: | C17 H22 N4 O4 |
| Smiles: | Cc1cccc(c1)C1N2CC3(CN1CC(C2)(C3(C)C)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9581 |
| logD: | 2.9579 |
| logSw: | -3.0842 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.782 |
| InChI Key: | KHEUKJOESHVJMB-UHFFFAOYSA-N |