methyl 4-(4-chlorophenyl)-5-methyl-2-(4-nitrobenzamido)thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 4-(4-chlorophenyl)-5-methyl-2-(4-nitrobenzamido)thiophene-3-carboxylate
methyl 4-(4-chlorophenyl)-5-methyl-2-(4-nitrobenzamido)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-0699 |
| Compound Name: | methyl 4-(4-chlorophenyl)-5-methyl-2-(4-nitrobenzamido)thiophene-3-carboxylate |
| Molecular Weight: | 430.86 |
| Molecular Formula: | C20 H15 Cl N2 O5 S |
| Smiles: | Cc1c(c2ccc(cc2)[Cl])c(C(=O)OC)c(NC(c2ccc(cc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.1925 |
| logD: | 3.9053 |
| logSw: | -5.9896 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.408 |
| InChI Key: | LLHGGKIICDHYNH-UHFFFAOYSA-N |