N-(4-chlorophenyl)-2-methyl-4-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-methyl-4-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
N-(4-chlorophenyl)-2-methyl-4-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1911 |
| Compound Name: | N-(4-chlorophenyl)-2-methyl-4-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 517.96 |
| Molecular Formula: | C25 H19 Cl F3 N3 O2 S |
| Smiles: | CC12C(C(c3ccccc3O2)NC(N1c1cccc(c1)C(F)(F)F)=S)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0342 |
| logD: | 6.011 |
| logSw: | -6.2386 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.603 |
| InChI Key: | DORPVPUUTDGTSF-UHFFFAOYSA-N |