3-[(4-methoxyphenyl)methyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
3-[(4-methoxyphenyl)methyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-[(4-methoxyphenyl)methyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | F141-0028 |
| Compound Name: | 3-[(4-methoxyphenyl)methyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 340.44 |
| Molecular Formula: | C19 H20 N2 O2 S |
| Smiles: | CC12CC(c3ccccc3O2)NC(N1Cc1ccc(cc1)OC)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0444 |
| logD: | 4.0444 |
| logSw: | -4.3164 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.0697 |
| InChI Key: | QTDRGOBUPBLLDA-UHFFFAOYSA-N |