8-chloro-2-methyl-3-[4-(propan-2-yl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
8-chloro-2-methyl-3-[4-(propan-2-yl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-chloro-2-methyl-3-[4-(propan-2-yl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | F141-0077 |
| Compound Name: | 8-chloro-2-methyl-3-[4-(propan-2-yl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 372.92 |
| Molecular Formula: | C20 H21 Cl N2 O S |
| Smiles: | CC(C)c1ccc(cc1)N1C(NC2CC1(C)Oc1ccc(cc12)[Cl])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5809 |
| logD: | 5.5809 |
| logSw: | -6.2096 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.9144 |
| InChI Key: | NKXYVHKZKRBYBA-UHFFFAOYSA-N |