3,7-bis(4-methylbenzene-1-sulfonyl)-1,5-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one
Chemical Structure Depiction of
3,7-bis(4-methylbenzene-1-sulfonyl)-1,5-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one
3,7-bis(4-methylbenzene-1-sulfonyl)-1,5-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one
Compound characteristics
| Compound ID: | 3379-0230 |
| Compound Name: | 3,7-bis(4-methylbenzene-1-sulfonyl)-1,5-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one |
| Molecular Weight: | 532.72 |
| Molecular Formula: | C27 H36 N2 O5 S2 |
| Smiles: | CC(C)C12CN(CC(CN(C1)S(c1ccc(C)cc1)(=O)=O)(C(C)C)C2=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4478 |
| logD: | 5.4478 |
| logSw: | -5.3335 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 76.269 |
| InChI Key: | GUKGDQDPQGXNJZ-UHFFFAOYSA-N |