2-{2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-{2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
2-{2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | M089-0085 |
| Compound Name: | 2-{2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl}-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 427.47 |
| Molecular Formula: | C18 H16 F3 N3 O2 S2 |
| Smiles: | Cc1c(cc(c2cc(C(F)(F)F)[nH]n2)s1)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8023 |
| logD: | 4.7951 |
| logSw: | -4.4925 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.119 |
| InChI Key: | PLTLMMPTNGUILX-UHFFFAOYSA-N |