ethyl 8,10-dibromo-3-ethyl-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
ethyl 8,10-dibromo-3-ethyl-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
ethyl 8,10-dibromo-3-ethyl-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | K272-0631 |
| Compound Name: | ethyl 8,10-dibromo-3-ethyl-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 478.2 |
| Molecular Formula: | C16 H18 Br2 N2 O3 S |
| Smiles: | CCN1C(NC2C(C(=O)OCC)C1(C)Oc1c2cc(cc1[Br])[Br])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7868 |
| logD: | 4.7868 |
| logSw: | -4.4798 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.558 |
| InChI Key: | NVMGCMUHRGWMOB-UHFFFAOYSA-N |