3-(5-chloro-2-methoxyphenyl)-10-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
3-(5-chloro-2-methoxyphenyl)-10-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-(5-chloro-2-methoxyphenyl)-10-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2274 |
| Compound Name: | 3-(5-chloro-2-methoxyphenyl)-10-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 390.89 |
| Molecular Formula: | C19 H19 Cl N2 O3 S |
| Smiles: | CC12CC(c3cccc(c3O2)OC)NC(N1c1cc(ccc1OC)[Cl])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9792 |
| logD: | 3.9792 |
| logSw: | -4.4355 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.559 |
| InChI Key: | YQEPTGAOOSBJKU-UHFFFAOYSA-N |