methyl 10-ethoxy-2-methyl-3-[4-(propan-2-yl)phenyl]-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
methyl 10-ethoxy-2-methyl-3-[4-(propan-2-yl)phenyl]-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
methyl 10-ethoxy-2-methyl-3-[4-(propan-2-yl)phenyl]-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | C302-0081 |
| Compound Name: | methyl 10-ethoxy-2-methyl-3-[4-(propan-2-yl)phenyl]-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C24 H28 N2 O4 S |
| Smiles: | CCOc1cccc2C3C(C(=O)OC)C(C)(N(C(N3)=S)c3ccc(cc3)C(C)C)Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2759 |
| logD: | 5.2759 |
| logSw: | -5.0941 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.581 |
| InChI Key: | MGQXDGSNJIXDRX-UHFFFAOYSA-N |