5-butyl-7-methyl-2-{4-[(prop-2-en-1-yl)oxy]phenyl}-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Chemical Structure Depiction of
5-butyl-7-methyl-2-{4-[(prop-2-en-1-yl)oxy]phenyl}-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
5-butyl-7-methyl-2-{4-[(prop-2-en-1-yl)oxy]phenyl}-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Compound characteristics
| Compound ID: | D171-0148 |
| Compound Name: | 5-butyl-7-methyl-2-{4-[(prop-2-en-1-yl)oxy]phenyl}-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one |
| Molecular Weight: | 354.49 |
| Molecular Formula: | C22 H30 N2 O2 |
| Smiles: | CCCCC12CN3CC(C)(CN(C1)C3c1ccc(cc1)OCC=C)C2=O |
| Stereo: | ACHIRAL |
| logP: | 4.1932 |
| logD: | 4.1931 |
| logSw: | -4.0416 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 27.3358 |
| InChI Key: | MVZUJPQCDLEDAJ-UHFFFAOYSA-N |