8-chloro-3-[(2-methoxyphenyl)methyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
8-chloro-3-[(2-methoxyphenyl)methyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-chloro-3-[(2-methoxyphenyl)methyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
Compound ID: | F141-0067 |
Compound Name: | 8-chloro-3-[(2-methoxyphenyl)methyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
Molecular Weight: | 374.89 |
Molecular Formula: | C19 H19 Cl N2 O2 S |
Smiles: | CC12CC(c3cc(ccc3O2)[Cl])NC(N1Cc1ccccc1OC)=S |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.6704 |
logD: | 4.6704 |
logSw: | -4.8603 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 28.1563 |
InChI Key: | NJIXDMRNAWDKPG-UHFFFAOYSA-N |