8-chloro-3-(3-chlorophenyl)-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
8-chloro-3-(3-chlorophenyl)-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
8-chloro-3-(3-chlorophenyl)-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
Compound ID: | K272-1429 |
Compound Name: | 8-chloro-3-(3-chlorophenyl)-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
Molecular Weight: | 436.36 |
Molecular Formula: | C20 H19 Cl2 N3 O2 S |
Smiles: | CC12C(C(c3cc(ccc3O2)[Cl])NC(N1c1cccc(c1)[Cl])=S)C(N(C)C)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.9138 |
logD: | 3.9138 |
logSw: | -4.4349 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 36.513 |
InChI Key: | DLLDPSOJJYXLHU-UHFFFAOYSA-N |