2-[3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazole-4-sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-[3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazole-4-sulfonyl]-1,2,3,4-tetrahydroisoquinoline
2-[3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazole-4-sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | F828-2036 |
| Compound Name: | 2-[3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazole-4-sulfonyl]-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | Cc1ccc(cc1)n1c(C)c(c(C)n1)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7035 |
| logD: | 3.7035 |
| logSw: | -3.817 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.029 |
| InChI Key: | IUSQIVDGXNUJLO-UHFFFAOYSA-N |