ethyl 2-(3,5-dinitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3,5-dinitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(3,5-dinitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 0685-0078 |
| Compound Name: | ethyl 2-(3,5-dinitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 419.41 |
| Molecular Formula: | C18 H17 N3 O7 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1041 |
| logD: | -1.8068 |
| logSw: | -4.2713 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.561 |
| InChI Key: | FEJPEMCFGPDCRX-UHFFFAOYSA-N |