methyl 8-bromo-2-methyl-3-phenyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
methyl 8-bromo-2-methyl-3-phenyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
methyl 8-bromo-2-methyl-3-phenyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | C302-0096 |
| Compound Name: | methyl 8-bromo-2-methyl-3-phenyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 433.32 |
| Molecular Formula: | C19 H17 Br N2 O3 S |
| Smiles: | CC12C(C(c3cc(ccc3O2)[Br])NC(N1c1ccccc1)=S)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1509 |
| logD: | 4.1509 |
| logSw: | -4.4355 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.686 |
| InChI Key: | QKQYDBUGUMVYFH-UHFFFAOYSA-N |