ethyl 4-[(2-methylpropyl)sulfanyl]-6-nitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[(2-methylpropyl)sulfanyl]-6-nitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
ethyl 4-[(2-methylpropyl)sulfanyl]-6-nitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8012-5613 |
| Compound Name: | ethyl 4-[(2-methylpropyl)sulfanyl]-6-nitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C19 H20 N2 O4 S2 |
| Smiles: | CCOC(c1c(c2c(cc(cc2s1)[N+]([O-])=O)SCC(C)C)n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9411 |
| logD: | 5.9411 |
| logSw: | -5.6401 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.504 |
| InChI Key: | YWAFPJAHTUOQMN-UHFFFAOYSA-N |