ethyl 3-ethyl-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-ethyl-8-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
ethyl 3-ethyl-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: | K272-0633 |
| Compound Name: | ethyl 3-ethyl-8-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 350.43 |
| Molecular Formula: | C17 H22 N2 O4 S |
| Smiles: | CCN1C(NC2C(C(=O)OCC)C1(C)Oc1ccc(cc12)OC)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1168 |
| logD: | 3.1168 |
| logSw: | -3.4837 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.417 |
| InChI Key: | JBSLWVQWZUIFCE-UHFFFAOYSA-N |