3-(4-bromophenyl)-10-ethoxy-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
3-(4-bromophenyl)-10-ethoxy-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
3-(4-bromophenyl)-10-ethoxy-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1630 |
| Compound Name: | 3-(4-bromophenyl)-10-ethoxy-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 490.42 |
| Molecular Formula: | C22 H24 Br N3 O3 S |
| Smiles: | CCOc1cccc2C3C(C(N(C)C)=O)C(C)(N(C(N3)=S)c3ccc(cc3)[Br])Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9009 |
| logD: | 3.9009 |
| logSw: | -4.095 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.407 |
| InChI Key: | GJESVQINPHFNFQ-UHFFFAOYSA-N |