ethyl 5-carbamoyl-2-(3,5-dinitrobenzamido)-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-carbamoyl-2-(3,5-dinitrobenzamido)-4-methylthiophene-3-carboxylate
ethyl 5-carbamoyl-2-(3,5-dinitrobenzamido)-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0601 |
| Compound Name: | ethyl 5-carbamoyl-2-(3,5-dinitrobenzamido)-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 422.37 |
| Molecular Formula: | C16 H14 N4 O8 S |
| Smiles: | CCOC(c1c(C)c(C(N)=O)sc1NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.046 |
| logD: | -4.7123 |
| logSw: | -2.8327 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 144.7 |
| InChI Key: | ZCACWGUZKQDZET-UHFFFAOYSA-N |