3-(4-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
3-(4-chlorophenyl)-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
3-(4-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: | K272-1453 |
Compound Name: | 3-(4-chlorophenyl)-N,N,2-trimethyl-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: | CC12C(C(c3ccccc3O2)NC(N1c1ccc(cc1)[Cl])=S)C(N(C)C)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.2127 |
logD: | 3.2127 |
logSw: | -3.8516 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 36.513 |
InChI Key: | KPQZSYHOQHEPML-UHFFFAOYSA-N |