methyl 3-acetamido-4-(benzylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-acetamido-4-(benzylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate
methyl 3-acetamido-4-(benzylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8012-7629 |
| Compound Name: | methyl 3-acetamido-4-(benzylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 416.47 |
| Molecular Formula: | C19 H16 N2 O5 S2 |
| Smiles: | CC(Nc1c2c(cc(cc2sc1C(=O)OC)[N+]([O-])=O)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9859 |
| logD: | 2.9492 |
| logSw: | -3.5841 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.135 |
| InChI Key: | DWZMXDXGGCCWBO-UHFFFAOYSA-N |