methyl 4-fluoro-3-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 4-fluoro-3-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-1-benzothiophene-2-carboxylate
methyl 4-fluoro-3-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0226 |
| Compound Name: | methyl 4-fluoro-3-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 431.5 |
| Molecular Formula: | C21 H18 F N O4 S2 |
| Smiles: | COC(c1c(c2c(cccc2s1)F)S(N1CCC(=CC1)c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7781 |
| logD: | 4.7781 |
| logSw: | -4.8304 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.598 |
| InChI Key: | AWCDLDHMCFXIEA-UHFFFAOYSA-N |