8-tert-butyl-3-(4-fluoro-2-methylphenyl)-10-hydroxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
8-tert-butyl-3-(4-fluoro-2-methylphenyl)-10-hydroxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-tert-butyl-3-(4-fluoro-2-methylphenyl)-10-hydroxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | C201-0334 |
| Compound Name: | 8-tert-butyl-3-(4-fluoro-2-methylphenyl)-10-hydroxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 400.51 |
| Molecular Formula: | C22 H25 F N2 O2 S |
| Smiles: | Cc1cc(ccc1N1C(NC2CC1(C)Oc1c2cc(cc1O)C(C)(C)C)=S)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8024 |
| logD: | 5.8021 |
| logSw: | -5.4678 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 35.846 |
| InChI Key: | XDAQYJNZLCPHSG-UHFFFAOYSA-N |