methyl 3-acetamido-4-(cyclohexylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-acetamido-4-(cyclohexylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate
methyl 3-acetamido-4-(cyclohexylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y501-5549 |
| Compound Name: | methyl 3-acetamido-4-(cyclohexylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 408.49 |
| Molecular Formula: | C18 H20 N2 O5 S2 |
| Smiles: | CC(Nc1c2c(cc(cc2sc1C(=O)OC)[N+]([O-])=O)SC1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8709 |
| logD: | 3.8065 |
| logSw: | -4.016 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.327 |
| InChI Key: | IGQXIXIVZFFZEO-UHFFFAOYSA-N |