2-(2H-1,3-benzodioxol-5-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
2-(2H-1,3-benzodioxol-5-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Compound characteristics
| Compound ID: | 6058-0003 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one |
| Molecular Weight: | 356.46 |
| Molecular Formula: | C21 H28 N2 O3 |
| Smiles: | CC(C)C12CN3CC(CN(C1)C3c1ccc3c(c1)OCO3)(C(C)C)C2=O |
| Stereo: | ACHIRAL |
| logP: | 3.6254 |
| logD: | 3.6216 |
| logSw: | -3.6773 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.034 |
| InChI Key: | QAEGDMZMQDRYHD-UHFFFAOYSA-N |