dimethyl 5-(2-chloro-5-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-(2-chloro-5-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate
dimethyl 5-(2-chloro-5-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 3366-4150 |
| Compound Name: | dimethyl 5-(2-chloro-5-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 412.8 |
| Molecular Formula: | C16 H13 Cl N2 O7 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(c2cc(ccc2[Cl])[N+]([O-])=O)=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2777 |
| logD: | -2.2559 |
| logSw: | -4.1227 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.853 |
| InChI Key: | AVHHMOCASWXUDR-UHFFFAOYSA-N |