ethyl 3-(4-bromophenyl)-10-ethoxy-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)-10-ethoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
ethyl 3-(4-bromophenyl)-10-ethoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | K272-0054 |
| Compound Name: | ethyl 3-(4-bromophenyl)-10-ethoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 491.4 |
| Molecular Formula: | C22 H23 Br N2 O4 S |
| Smiles: | CCOC(C1C2c3cccc(c3OC1(C)N(C(N2)=S)c1ccc(cc1)[Br])OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1771 |
| logD: | 5.1771 |
| logSw: | -4.9984 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.16 |
| InChI Key: | KESAROYRIOXDLJ-UHFFFAOYSA-N |