1-methyl-9-oxo-N~3~,N~7~-diphenyl-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide
Chemical Structure Depiction of
1-methyl-9-oxo-N~3~,N~7~-diphenyl-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide
1-methyl-9-oxo-N~3~,N~7~-diphenyl-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide
Compound characteristics
| Compound ID: | D318-0692 |
| Compound Name: | 1-methyl-9-oxo-N~3~,N~7~-diphenyl-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide |
| Molecular Weight: | 466.67 |
| Molecular Formula: | C25 H30 N4 O S2 |
| Smiles: | CCCC12CN(CC(C)(CN(C1)C(Nc1ccccc1)=S)C2=O)C(Nc1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.3152 |
| logD: | 5.3152 |
| logSw: | -5.2059 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 34.644 |
| InChI Key: | AVRZOGVJZQKVLZ-UHFFFAOYSA-N |