8-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
8-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | C200-1263 |
| Compound Name: | 8-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 432.97 |
| Molecular Formula: | C22 H25 Cl N2 O3 S |
| Smiles: | CC1C2c3cc(ccc3OC1(C)N(CCc1ccc(c(c1)OC)OC)C(N2)=S)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7588 |
| logD: | 4.7588 |
| logSw: | -4.8137 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.363 |
| InChI Key: | KIXXWRCTCAYZGE-UHFFFAOYSA-N |