N-(4-chlorophenyl)-2,8-dimethyl-3-phenyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2,8-dimethyl-3-phenyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
N-(4-chlorophenyl)-2,8-dimethyl-3-phenyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-0989 |
| Compound Name: | N-(4-chlorophenyl)-2,8-dimethyl-3-phenyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 463.98 |
| Molecular Formula: | C25 H22 Cl N3 O2 S |
| Smiles: | Cc1ccc2c(c1)C1C(C(Nc3ccc(cc3)[Cl])=O)C(C)(N(C(N1)=S)c1ccccc1)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4559 |
| logD: | 5.4327 |
| logSw: | -5.9597 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.603 |
| InChI Key: | WCZYAGRRIOZCLJ-UHFFFAOYSA-N |