2-{2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-{2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
2-{2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | M090-0085 |
| Compound Name: | 2-{2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonyl}-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 442.48 |
| Molecular Formula: | C19 H17 F3 N2 O3 S2 |
| Smiles: | Cc1c(c(c(C)s1)S(N1CCc2ccccc2C1)(=O)=O)c1cc(C(F)(F)F)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.925 |
| logD: | 4.925 |
| logSw: | -4.7376 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.165 |
| InChI Key: | AYVZIEXTEXNGSA-UHFFFAOYSA-N |