propan-2-yl 2-(2-chloro-4-nitrobenzamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-(2-chloro-4-nitrobenzamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
propan-2-yl 2-(2-chloro-4-nitrobenzamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-0057 |
| Compound Name: | propan-2-yl 2-(2-chloro-4-nitrobenzamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 453.9 |
| Molecular Formula: | C19 H20 Cl N3 O6 S |
| Smiles: | CC(C)OC(c1c(C)c(C(N(C)C)=O)sc1NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2162 |
| logD: | -0.9374 |
| logSw: | -4.1614 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.939 |
| InChI Key: | JMFKTNNFAWQXAU-UHFFFAOYSA-N |