3-(4-fluorophenyl)-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-(4-fluorophenyl)-10-methoxy-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-(4-fluorophenyl)-10-methoxy-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | C339-0029 |
| Compound Name: | 3-(4-fluorophenyl)-10-methoxy-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 358.43 |
| Molecular Formula: | C19 H19 F N2 O2 S |
| Smiles: | CC1C2c3cccc(c3OC1(C)N(C(N2)=S)c1ccc(cc1)F)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9713 |
| logD: | 3.9713 |
| logSw: | -4.238 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.8269 |
| InChI Key: | SREWWGKHLTUDGE-UHFFFAOYSA-N |