ethyl 3-acetamido-4-(benzylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 3-acetamido-4-(benzylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate
ethyl 3-acetamido-4-(benzylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8012-7844 |
| Compound Name: | ethyl 3-acetamido-4-(benzylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 430.5 |
| Molecular Formula: | C20 H18 N2 O5 S2 |
| Smiles: | CCOC(c1c(c2c(cc(cc2s1)[N+]([O-])=O)SCc1ccccc1)NC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4056 |
| logD: | 3.3688 |
| logSw: | -3.939 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.715 |
| InChI Key: | MMTQPFJGLBVICG-UHFFFAOYSA-N |