ethyl 3-amino-4-[(2-methoxy-2-oxoethyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 3-amino-4-[(2-methoxy-2-oxoethyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
ethyl 3-amino-4-[(2-methoxy-2-oxoethyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y501-2858 |
| Compound Name: | ethyl 3-amino-4-[(2-methoxy-2-oxoethyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 370.4 |
| Molecular Formula: | C14 H14 N2 O6 S2 |
| Smiles: | CCOC(c1c(c2c(cc(cc2s1)[N+]([O-])=O)SCC(=O)OC)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7168 |
| logD: | 2.7168 |
| logSw: | -3.2118 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.086 |
| InChI Key: | GSLNSXRNEUHTCZ-UHFFFAOYSA-N |