3-(2,6-dimethylphenyl)-10-methoxy-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
3-(2,6-dimethylphenyl)-10-methoxy-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-(2,6-dimethylphenyl)-10-methoxy-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | C200-1382 |
| Compound Name: | 3-(2,6-dimethylphenyl)-10-methoxy-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 368.5 |
| Molecular Formula: | C21 H24 N2 O2 S |
| Smiles: | CC1C2c3cccc(c3OC1(C)N(C(N2)=S)c1c(C)cccc1C)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7285 |
| logD: | 4.7285 |
| logSw: | -4.5643 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.225 |
| InChI Key: | XCSDDJUXFMVBBW-UHFFFAOYSA-N |