ethyl (2RS)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
ethyl (2RS)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
ethyl (2RS)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | 8008-6554 |
| Compound Name: | ethyl (2RS)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 292.35 |
| Molecular Formula: | C14 H16 N2 O3 S |
| Smiles: | CCOC(C1C2c3ccccc3O[C@]1(C)NC(N2)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2417 |
| logD: | 2.2417 |
| logSw: | -2.7727 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.287 |
| InChI Key: | RTLLPSILKQLBGZ-MGULZYLOSA-N |