methyl 2-(2-methyl-3-nitrobenzamido)-5-propylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-methyl-3-nitrobenzamido)-5-propylthiophene-3-carboxylate
methyl 2-(2-methyl-3-nitrobenzamido)-5-propylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-0873 |
| Compound Name: | methyl 2-(2-methyl-3-nitrobenzamido)-5-propylthiophene-3-carboxylate |
| Molecular Weight: | 362.4 |
| Molecular Formula: | C17 H18 N2 O5 S |
| Smiles: | CCCc1cc(C(=O)OC)c(NC(c2cccc(c2C)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.2459 |
| logD: | -0.0096 |
| logSw: | -4.4565 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.378 |
| InChI Key: | VNHYRQTXVMNIAE-UHFFFAOYSA-N |