methyl 3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-fluoro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-fluoro-1-benzothiophene-2-carboxylate
methyl 3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-fluoro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0221 |
| Compound Name: | methyl 3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-fluoro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C19 H16 F N O4 S2 |
| Smiles: | COC(c1c(c2c(cccc2s1)F)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1355 |
| logD: | 4.1355 |
| logSw: | -4.4024 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.532 |
| InChI Key: | ABYYCLVCBAFULG-UHFFFAOYSA-N |