methyl 3-amino-4-[(2-ethoxy-2-oxoethyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-amino-4-[(2-ethoxy-2-oxoethyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
methyl 3-amino-4-[(2-ethoxy-2-oxoethyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8012-5611 |
| Compound Name: | methyl 3-amino-4-[(2-ethoxy-2-oxoethyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 370.4 |
| Molecular Formula: | C14 H14 N2 O6 S2 |
| Smiles: | CCOC(CSc1cc(cc2c1c(c(C(=O)OC)s2)N)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8883 |
| logD: | 2.8883 |
| logSw: | -3.4257 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.086 |
| InChI Key: | ADWWVBBWJCKFCH-UHFFFAOYSA-N |