3-(5-chloro-2-methoxyphenyl)-10-ethoxy-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-ethoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-(5-chloro-2-methoxyphenyl)-10-ethoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2304 |
| Compound Name: | 3-(5-chloro-2-methoxyphenyl)-10-ethoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 404.91 |
| Molecular Formula: | C20 H21 Cl N2 O3 S |
| Smiles: | CCOc1cccc2C3CC(C)(N(C(N3)=S)c3cc(ccc3OC)[Cl])Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4967 |
| logD: | 4.4967 |
| logSw: | -4.7176 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.138 |
| InChI Key: | RKOKCHLFICXBAQ-UHFFFAOYSA-N |