8-chloro-N-(2,4-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
8-chloro-N-(2,4-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
8-chloro-N-(2,4-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1307 |
| Compound Name: | 8-chloro-N-(2,4-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 401.91 |
| Molecular Formula: | C20 H20 Cl N3 O2 S |
| Smiles: | Cc1ccc(c(C)c1)NC(C1C2c3cc(ccc3OC1(C)NC(N2)=S)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3678 |
| logD: | 4.3676 |
| logSw: | -4.5781 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 53.927 |
| InChI Key: | ZMOXAMYTURSZIR-UHFFFAOYSA-N |