5,7-dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Chemical Structure Depiction of
5,7-dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
5,7-dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Compound characteristics
| Compound ID: | 5586-2516 |
| Compound Name: | 5,7-dimethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one |
| Molecular Weight: | 301.34 |
| Molecular Formula: | C16 H19 N3 O3 |
| Smiles: | CC12CN3CC(C)(CN(C1)C3c1ccc(cc1)[N+]([O-])=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.2104 |
| logD: | 2.2102 |
| logSw: | -2.5622 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.3 |
| InChI Key: | HVIXHOGZVXKQKA-UHFFFAOYSA-N |