1-{2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl}-4-phenyl-1,2,3,6-tetrahydropyridine
Chemical Structure Depiction of
1-{2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl}-4-phenyl-1,2,3,6-tetrahydropyridine
1-{2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl}-4-phenyl-1,2,3,6-tetrahydropyridine
Compound characteristics
| Compound ID: | M089-0115 |
| Compound Name: | 1-{2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl}-4-phenyl-1,2,3,6-tetrahydropyridine |
| Molecular Weight: | 453.5 |
| Molecular Formula: | C20 H18 F3 N3 O2 S2 |
| Smiles: | Cc1c(cc(c2cc(C(F)(F)F)[nH]n2)s1)S(N1CCC(=CC1)c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4449 |
| logD: | 5.4377 |
| logSw: | -5.4708 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.186 |
| InChI Key: | AAYYFZIKKOGURD-UHFFFAOYSA-N |