methyl 2-(2-chloro-5-nitrobenzamido)-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-chloro-5-nitrobenzamido)-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
methyl 2-(2-chloro-5-nitrobenzamido)-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-9439 |
| Compound Name: | methyl 2-(2-chloro-5-nitrobenzamido)-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate |
| Molecular Weight: | 448.86 |
| Molecular Formula: | C20 H14 Cl F N2 O5 S |
| Smiles: | Cc1c(c2ccc(cc2)F)c(C(=O)OC)c(NC(c2cc(ccc2[Cl])[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.1733 |
| logD: | 2.0028 |
| logSw: | -5.7588 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.408 |
| InChI Key: | HIHAVJWTNMFGNZ-UHFFFAOYSA-N |