ethyl 3-amino-4-[(2-hydroxyethyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 3-amino-4-[(2-hydroxyethyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
ethyl 3-amino-4-[(2-hydroxyethyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8012-4892 |
| Compound Name: | ethyl 3-amino-4-[(2-hydroxyethyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 342.39 |
| Molecular Formula: | C13 H14 N2 O5 S2 |
| Smiles: | CCOC(c1c(c2c(cc(cc2s1)[N+]([O-])=O)SCCO)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4638 |
| logD: | 2.4638 |
| logSw: | -2.5218 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.162 |
| InChI Key: | USUDJWMZZXESJM-UHFFFAOYSA-N |