methyl 4-[(2-methylpropyl)sulfanyl]-6-nitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 4-[(2-methylpropyl)sulfanyl]-6-nitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
methyl 4-[(2-methylpropyl)sulfanyl]-6-nitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8012-5612 |
| Compound Name: | methyl 4-[(2-methylpropyl)sulfanyl]-6-nitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C18 H18 N2 O4 S2 |
| Smiles: | CC(C)CSc1cc(cc2c1c(c(C(=O)OC)s2)n1cccc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5215 |
| logD: | 5.5215 |
| logSw: | -5.5882 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.925 |
| InChI Key: | IRMAWXYCCJBUPR-UHFFFAOYSA-N |