methyl 6-nitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 6-nitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
methyl 6-nitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8019-1805 |
| Compound Name: | methyl 6-nitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 302.31 |
| Molecular Formula: | C14 H10 N2 O4 S |
| Smiles: | COC(c1c(c2ccc(cc2s1)[N+]([O-])=O)n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8969 |
| logD: | 3.8969 |
| logSw: | -4.1503 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.925 |
| InChI Key: | MKLYDAQFEDYPLD-UHFFFAOYSA-N |