ethyl 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 10-ethoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
ethyl 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: | K272-0010 |
| Compound Name: | ethyl 10-ethoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 336.41 |
| Molecular Formula: | C16 H20 N2 O4 S |
| Smiles: | CCOC(C1C2c3cccc(c3OC1(C)NC(N2)=S)OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6907 |
| logD: | 2.6907 |
| logSw: | -3.0847 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.182 |
| InChI Key: | QWOWIYSKXGGMGZ-UHFFFAOYSA-N |