5,7-dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Chemical Structure Depiction of
5,7-dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane
5,7-dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Compound characteristics
| Compound ID: | D171-0083 |
| Compound Name: | 5,7-dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane |
| Molecular Weight: | 287.36 |
| Molecular Formula: | C16 H21 N3 O2 |
| Smiles: | CC12CC3(C)CN(C1)C(c1ccc(cc1)[N+]([O-])=O)N(C2)C3 |
| Stereo: | ACHIRAL |
| logP: | 2.8222 |
| logD: | 2.2494 |
| logSw: | -3.2256 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.153 |
| InChI Key: | BVAFBKHDFPXPSL-UHFFFAOYSA-N |