ethyl 4-(2,3-dihydro-1,4-benzodioxin-2-yl)-2-(3,5-dinitrobenzamido)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(2,3-dihydro-1,4-benzodioxin-2-yl)-2-(3,5-dinitrobenzamido)thiophene-3-carboxylate
ethyl 4-(2,3-dihydro-1,4-benzodioxin-2-yl)-2-(3,5-dinitrobenzamido)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3379-0941 |
| Compound Name: | ethyl 4-(2,3-dihydro-1,4-benzodioxin-2-yl)-2-(3,5-dinitrobenzamido)thiophene-3-carboxylate |
| Molecular Weight: | 499.45 |
| Molecular Formula: | C22 H17 N3 O9 S |
| Smiles: | CCOC(c1c(csc1NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)C1COc2ccccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4134 |
| logD: | -0.708 |
| logSw: | -4.403 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 125.806 |
| InChI Key: | PEASBTFRSZIZMP-SFHVURJKSA-N |