N,3-bis(4-chlorophenyl)-10-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,3-bis(4-chlorophenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
N,3-bis(4-chlorophenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-0873 |
| Compound Name: | N,3-bis(4-chlorophenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 514.43 |
| Molecular Formula: | C25 H21 Cl2 N3 O3 S |
| Smiles: | CC12C(C(c3cccc(c3O2)OC)NC(N1c1ccc(cc1)[Cl])=S)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7038 |
| logD: | 5.6807 |
| logSw: | -6.0133 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.918 |
| InChI Key: | OKQFMYGOCJXHHM-UHFFFAOYSA-N |