2-(3,4-dimethoxyphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
2-(3,4-dimethoxyphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Compound characteristics
| Compound ID: | 4036-0047 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C18 H24 N4 O6 |
| Smiles: | CC1(C)C2(CN3CC1(CN(C2)C3c1ccc(c(c1)OC)OC)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0826 |
| logD: | 2.0809 |
| logSw: | -2.5212 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.043 |
| InChI Key: | NPKUOPPJWIPKGM-UHFFFAOYSA-N |