methyl 3-ethyl-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
methyl 3-ethyl-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
methyl 3-ethyl-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | C302-0036 |
| Compound Name: | methyl 3-ethyl-10-methoxy-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: | CCN1C(NC2C(C(=O)OC)C1(C)Oc1c2cccc1OC)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5938 |
| logD: | 2.5938 |
| logSw: | -3.0567 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.609 |
| InChI Key: | DIEMYJGTBZSYDH-UHFFFAOYSA-N |