2-[1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-[1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]-1,2,3,4-tetrahydroisoquinoline
2-[1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | F828-0872 |
| Compound Name: | 2-[1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 401.91 |
| Molecular Formula: | C20 H20 Cl N3 O2 S |
| Smiles: | Cc1c(c(C)n(c2ccc(cc2)[Cl])n1)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8748 |
| logD: | 3.8748 |
| logSw: | -4.3777 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.029 |
| InChI Key: | QVQGYCVPUWWLKA-UHFFFAOYSA-N |