3-(3-bromophenyl)-N-(4-chlorophenyl)-10-ethoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
3-(3-bromophenyl)-N-(4-chlorophenyl)-10-ethoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
3-(3-bromophenyl)-N-(4-chlorophenyl)-10-ethoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-0905 |
| Compound Name: | 3-(3-bromophenyl)-N-(4-chlorophenyl)-10-ethoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 572.91 |
| Molecular Formula: | C26 H23 Br Cl N3 O3 S |
| Smiles: | CCOc1cccc2C3C(C(Nc4ccc(cc4)[Cl])=O)C(C)(N(C(N3)=S)c3cccc(c3)[Br])Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4202 |
| logD: | 6.397 |
| logSw: | -6.2357 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.498 |
| InChI Key: | YFYXJTXZKPJSCL-UHFFFAOYSA-N |