methyl 3-[4-(ethoxycarbonyl)phenyl]-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-[4-(ethoxycarbonyl)phenyl]-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
methyl 3-[4-(ethoxycarbonyl)phenyl]-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: | C302-0047 |
| Compound Name: | methyl 3-[4-(ethoxycarbonyl)phenyl]-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C23 H24 N2 O6 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(NC2C(C(=O)OC)C1(C)Oc1c2cccc1OC)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0216 |
| logD: | 4.0216 |
| logSw: | -4.1743 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.754 |
| InChI Key: | CLAWBQRKGRWXPW-UHFFFAOYSA-N |