methyl 3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-benzothiophene-2-carboxylate
methyl 3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0055 |
| Compound Name: | methyl 3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 387.47 |
| Molecular Formula: | C19 H17 N O4 S2 |
| Smiles: | COC(c1c(c2ccccc2s1)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.985 |
| logD: | 3.985 |
| logSw: | -4.1011 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.532 |
| InChI Key: | XVSMEMXCWPLZBT-UHFFFAOYSA-N |