8-chloro-3-(2-methoxyphenyl)-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-methoxyphenyl)-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-chloro-3-(2-methoxyphenyl)-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | C339-0058 |
| Compound Name: | 8-chloro-3-(2-methoxyphenyl)-2,11-dimethyl-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: | CC1C2c3cc(ccc3OC1(C)N(C(N2)=S)c1ccccc1OC)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5263 |
| logD: | 4.5263 |
| logSw: | -4.7594 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.8417 |
| InChI Key: | NVNWYUCFWJAKQD-UHFFFAOYSA-N |