N-(4-chlorophenyl)-3-(4-fluorophenyl)-8-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-3-(4-fluorophenyl)-8-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
N-(4-chlorophenyl)-3-(4-fluorophenyl)-8-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-0854 |
| Compound Name: | N-(4-chlorophenyl)-3-(4-fluorophenyl)-8-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 497.97 |
| Molecular Formula: | C25 H21 Cl F N3 O3 S |
| Smiles: | CC12C(C(c3cc(ccc3O2)OC)NC(N1c1ccc(cc1)F)=S)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2557 |
| logD: | 5.2325 |
| logSw: | -5.8544 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.147 |
| InChI Key: | QNEAAFVEDUHQMJ-UHFFFAOYSA-N |