3,7-di(benzenesulfonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Chemical Structure Depiction of
3,7-di(benzenesulfonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
3,7-di(benzenesulfonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Compound characteristics
| Compound ID: | 6058-0029 |
| Compound Name: | 3,7-di(benzenesulfonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C21 H24 N2 O5 S2 |
| Smiles: | CC12CN(CC(C)(CN(C1)S(c1ccccc1)(=O)=O)C2=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8206 |
| logD: | 2.8206 |
| logSw: | -3.291 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 76.269 |
| InChI Key: | MCEQDWWRRZZBHW-UHFFFAOYSA-N |