methyl 3-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-1-benzothiophene-2-carboxylate
methyl 3-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0060 |
| Compound Name: | methyl 3-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 413.51 |
| Molecular Formula: | C21 H19 N O4 S2 |
| Smiles: | COC(c1c(c2ccccc2s1)S(N1CCC(=CC1)c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6276 |
| logD: | 4.6276 |
| logSw: | -4.3562 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.598 |
| InChI Key: | UHAISZPRCJOIIN-UHFFFAOYSA-N |