ethyl 3-amino-4-{[(4-chlorophenyl)methyl]sulfanyl}-6-nitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 3-amino-4-{[(4-chlorophenyl)methyl]sulfanyl}-6-nitro-1-benzothiophene-2-carboxylate
ethyl 3-amino-4-{[(4-chlorophenyl)methyl]sulfanyl}-6-nitro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y501-2859 |
| Compound Name: | ethyl 3-amino-4-{[(4-chlorophenyl)methyl]sulfanyl}-6-nitro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 422.91 |
| Molecular Formula: | C18 H15 Cl N2 O4 S2 |
| Smiles: | CCOC(c1c(c2c(cc(cc2s1)[N+]([O-])=O)SCc1ccc(cc1)[Cl])N)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0161 |
| logD: | 5.0161 |
| logSw: | -5.1573 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.235 |
| InChI Key: | PFJAJVYQBQGHTG-UHFFFAOYSA-N |