8-chloro-3-(2,5-dimethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
8-chloro-3-(2,5-dimethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-chloro-3-(2,5-dimethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
Compound ID: | F141-0055 |
Compound Name: | 8-chloro-3-(2,5-dimethylphenyl)-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: | Cc1ccc(C)c(c1)N1C(NC2CC1(C)Oc1ccc(cc12)[Cl])=S |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.278 |
logD: | 5.278 |
logSw: | -5.8176 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 19.6135 |
InChI Key: | VQZJSWMRRSGOER-UHFFFAOYSA-N |