ethyl 3-(4-bromophenyl)-8-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
ethyl 3-(4-bromophenyl)-8-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
ethyl 3-(4-bromophenyl)-8-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | K272-0050 |
| Compound Name: | ethyl 3-(4-bromophenyl)-8-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 477.38 |
| Molecular Formula: | C21 H21 Br N2 O4 S |
| Smiles: | CCOC(C1C2c3cc(ccc3OC1(C)N(C(N2)=S)c1ccc(cc1)[Br])OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7771 |
| logD: | 4.7771 |
| logSw: | -4.6507 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.81 |
| InChI Key: | OWWUNTJQIMSQAA-UHFFFAOYSA-N |