2-methoxyethyl 2-(4-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 2-(4-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
2-methoxyethyl 2-(4-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-9326 |
| Compound Name: | 2-methoxyethyl 2-(4-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C19 H20 N2 O6 S |
| Smiles: | COCCOC(c1c2CCCCc2sc1NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.141 |
| logD: | -0.6652 |
| logSw: | -3.7099 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.816 |
| InChI Key: | URCOWEVNXGXRJC-UHFFFAOYSA-N |