8-chloro-2-methyl-3-(3-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
8-chloro-2-methyl-3-(3-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-chloro-2-methyl-3-(3-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2322 |
| Compound Name: | 8-chloro-2-methyl-3-(3-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 344.86 |
| Molecular Formula: | C18 H17 Cl N2 O S |
| Smiles: | Cc1cccc(c1)N1C(NC2CC1(C)Oc1ccc(cc12)[Cl])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7411 |
| logD: | 4.7411 |
| logSw: | -4.8387 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.9144 |
| InChI Key: | VKZVZUVSJWFOIT-UHFFFAOYSA-N |