2-{5-[3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene-2-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-{5-[3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene-2-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
2-{5-[3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene-2-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
Compound ID: | G275-1728 |
Compound Name: | 2-{5-[3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene-2-sulfonyl}-1,2,3,4-tetrahydroisoquinoline |
Molecular Weight: | 413.44 |
Molecular Formula: | C17 H14 F3 N3 O2 S2 |
Smiles: | C1CN(Cc2ccccc12)S(c1ccc(c2cc(C(F)(F)F)n[nH]2)s1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.526 |
logD: | 4.526 |
logSw: | -4.3051 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.119 |
InChI Key: | BQCYYVPUQVVRAM-UHFFFAOYSA-N |