ethyl 3-[4-(ethoxycarbonyl)phenyl]-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-[4-(ethoxycarbonyl)phenyl]-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
ethyl 3-[4-(ethoxycarbonyl)phenyl]-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | K272-0320 |
| Compound Name: | ethyl 3-[4-(ethoxycarbonyl)phenyl]-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C23 H24 N2 O5 S |
| Smiles: | CCOC(C1C2c3ccccc3OC1(C)N(C(N2)=S)c1ccc(cc1)C(=O)OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4956 |
| logD: | 4.4956 |
| logSw: | -4.3145 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.02 |
| InChI Key: | ZECAAYRMCCAJIM-UHFFFAOYSA-N |