ethyl 2,7-diamino-1-benzothiophene-3-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 2,7-diamino-1-benzothiophene-3-carboxylate--hydrogen chloride (1/1)
ethyl 2,7-diamino-1-benzothiophene-3-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8755-0026 |
| Compound Name: | ethyl 2,7-diamino-1-benzothiophene-3-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 272.75 |
| Molecular Formula: | C11 H12 N2 O2 S |
| Salt: | HCl |
| Smiles: | CCOC(c1c2cccc(c2sc1N)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0321 |
| logD: | 2.032 |
| logSw: | -2.3031 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 62.093 |
| InChI Key: | NIYGJLVVANWWDH-UHFFFAOYSA-N |