propyl 4-[4-(butan-2-yl)phenyl]-2-(4-nitrobenzamido)thiophene-3-carboxylate
Chemical Structure Depiction of
propyl 4-[4-(butan-2-yl)phenyl]-2-(4-nitrobenzamido)thiophene-3-carboxylate
propyl 4-[4-(butan-2-yl)phenyl]-2-(4-nitrobenzamido)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0195 |
| Compound Name: | propyl 4-[4-(butan-2-yl)phenyl]-2-(4-nitrobenzamido)thiophene-3-carboxylate |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C25 H26 N2 O5 S |
| Smiles: | CCCOC(c1c(csc1NC(c1ccc(cc1)[N+]([O-])=O)=O)c1ccc(cc1)C(C)CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0321 |
| logD: | 6.6271 |
| logSw: | -5.8218 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.282 |
| InChI Key: | XOTHBVKFAXMRSH-INIZCTEOSA-N |