ethyl 3-acetamido-4,6-dinitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 3-acetamido-4,6-dinitro-1-benzothiophene-2-carboxylate
ethyl 3-acetamido-4,6-dinitro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8012-5530 |
| Compound Name: | ethyl 3-acetamido-4,6-dinitro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 353.31 |
| Molecular Formula: | C13 H11 N3 O7 S |
| Smiles: | CCOC(c1c(c2c(cc(cc2s1)[N+]([O-])=O)[N+]([O-])=O)NC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5943 |
| logD: | 0.2229 |
| logSw: | -2.6358 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.067 |
| InChI Key: | ISXZFCVWJQJESY-UHFFFAOYSA-N |