2-[4-chloro-3-(trifluoromethyl)benzene-1-sulfonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-[4-chloro-3-(trifluoromethyl)benzene-1-sulfonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
2-[4-chloro-3-(trifluoromethyl)benzene-1-sulfonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | IB09-0835 |
| Compound Name: | 2-[4-chloro-3-(trifluoromethyl)benzene-1-sulfonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 435.85 |
| Molecular Formula: | C18 H17 Cl F3 N O4 S |
| Smiles: | COc1cc2CCN(Cc2cc1OC)S(c1ccc(c(c1)C(F)(F)F)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.49 |
| logD: | 4.49 |
| logSw: | -5.47 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 101.63 |
| InChI Key: | PWRJJUBFUQBKNR-UHFFFAOYSA-N |