methyl 6-nitro-4-(phenylsulfanyl)-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 6-nitro-4-(phenylsulfanyl)-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
methyl 6-nitro-4-(phenylsulfanyl)-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8012-7843 |
| Compound Name: | methyl 6-nitro-4-(phenylsulfanyl)-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C20 H14 N2 O4 S2 |
| Smiles: | COC(c1c(c2c(cc(cc2s1)[N+]([O-])=O)Sc1ccccc1)n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6847 |
| logD: | 5.6847 |
| logSw: | -5.7589 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.653 |
| InChI Key: | GURQTFFGFNBLRB-UHFFFAOYSA-N |