5-butyl-2-(3,4-dimethoxyphenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Chemical Structure Depiction of
5-butyl-2-(3,4-dimethoxyphenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
5-butyl-2-(3,4-dimethoxyphenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Compound characteristics
| Compound ID: | D171-0151 |
| Compound Name: | 5-butyl-2-(3,4-dimethoxyphenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C21 H30 N2 O3 |
| Smiles: | CCCCC12CN3CC(C)(CN(C1)C3c1ccc(c(c1)OC)OC)C2=O |
| Stereo: | ACHIRAL |
| logP: | 3.2922 |
| logD: | 3.291 |
| logSw: | -3.3446 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.179 |
| InChI Key: | STFVKSQCDQOULA-UHFFFAOYSA-N |