propan-2-yl 2-(4-methyl-3-nitrobenzamido)-4-(4-methylphenyl)thiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-(4-methyl-3-nitrobenzamido)-4-(4-methylphenyl)thiophene-3-carboxylate
propan-2-yl 2-(4-methyl-3-nitrobenzamido)-4-(4-methylphenyl)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-9845 |
| Compound Name: | propan-2-yl 2-(4-methyl-3-nitrobenzamido)-4-(4-methylphenyl)thiophene-3-carboxylate |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C23 H22 N2 O5 S |
| Smiles: | CC(C)OC(c1c(csc1NC(c1ccc(C)c(c1)[N+]([O-])=O)=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9484 |
| logD: | 4.6702 |
| logSw: | -5.5532 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.366 |
| InChI Key: | URYSJJKZKPVSID-UHFFFAOYSA-N |