7-[(3-bromophenyl)methyl]-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide
Chemical Structure Depiction of
7-[(3-bromophenyl)methyl]-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide
7-[(3-bromophenyl)methyl]-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide
Compound characteristics
| Compound ID: | 8002-7423 |
| Compound Name: | 7-[(3-bromophenyl)methyl]-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide |
| Molecular Weight: | 458.46 |
| Molecular Formula: | C23 H28 Br N3 S |
| Smiles: | CC12CC(C)(CN(Cc3cccc(c3)[Br])C1)CN(C2)C(Nc1ccccc1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3726 |
| logD: | 3.9849 |
| logSw: | -5.563 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 14.3315 |
| InChI Key: | IOFWDHJQDPSCBY-UHFFFAOYSA-N |