ethyl (2RS)-2,3-dimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
ethyl (2RS)-2,3-dimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
ethyl (2RS)-2,3-dimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | 3647-1481 |
| Compound Name: | ethyl (2RS)-2,3-dimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 306.38 |
| Molecular Formula: | C15 H18 N2 O3 S |
| Smiles: | CCOC(C1C2c3ccccc3O[C@]1(C)N(C)C(N2)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.53 |
| logD: | 2.53 |
| logSw: | -2.7908 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.915 |
| InChI Key: | RCNSZQWRVQZEKU-QOZQQMKHSA-N |