10-chloro-3-(4-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
10-chloro-3-(4-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
10-chloro-3-(4-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2859 |
| Compound Name: | 10-chloro-3-(4-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 358.89 |
| Molecular Formula: | C19 H19 Cl N2 O S |
| Smiles: | CCc1ccc(cc1)N1C(NC2CC1(C)Oc1c2cccc1[Cl])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1435 |
| logD: | 5.1435 |
| logSw: | -5.6506 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.5987 |
| InChI Key: | PMBRKLRHZDAITA-UHFFFAOYSA-N |