ethyl 4-(2,3-dihydro-1,4-benzodioxin-2-yl)-2-(4-nitrobenzamido)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(2,3-dihydro-1,4-benzodioxin-2-yl)-2-(4-nitrobenzamido)thiophene-3-carboxylate
ethyl 4-(2,3-dihydro-1,4-benzodioxin-2-yl)-2-(4-nitrobenzamido)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3379-0948 |
| Compound Name: | ethyl 4-(2,3-dihydro-1,4-benzodioxin-2-yl)-2-(4-nitrobenzamido)thiophene-3-carboxylate |
| Molecular Weight: | 454.46 |
| Molecular Formula: | C22 H18 N2 O7 S |
| Smiles: | CCOC(c1c(csc1NC(c1ccc(cc1)[N+]([O-])=O)=O)C1COc2ccccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3745 |
| logD: | 1.3574 |
| logSw: | -4.5099 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.425 |
| InChI Key: | QGWUUTWUCLRAGH-SFHVURJKSA-N |