2-(2H-1,3-benzodioxol-5-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
2-(2H-1,3-benzodioxol-5-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Compound characteristics
Compound ID: | D210-0013 |
Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one |
Molecular Weight: | 314.38 |
Molecular Formula: | C18 H22 N2 O3 |
Smiles: | CCC12CN3CC(C)(CN(C1)C3c1ccc3c(c1)OCO3)C2=O |
Stereo: | ACHIRAL |
logP: | 2.6141 |
logD: | 2.6108 |
logSw: | -2.8535 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 37.034 |
InChI Key: | QIJCESNUKHDGDG-UHFFFAOYSA-N |