8-chloro-2,11-dimethyl-3-(3-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
8-chloro-2,11-dimethyl-3-(3-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-chloro-2,11-dimethyl-3-(3-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | C200-1258 |
| Compound Name: | 8-chloro-2,11-dimethyl-3-(3-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 358.89 |
| Molecular Formula: | C19 H19 Cl N2 O S |
| Smiles: | CC1C2c3cc(ccc3OC1(C)N(C(N2)=S)c1cccc(C)c1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1654 |
| logD: | 5.1654 |
| logSw: | -5.537 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.5122 |
| InChI Key: | ACBUEXNZPIERBZ-UHFFFAOYSA-N |