2-(4-tert-butylphenoxy)-1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-tert-butylphenoxy)-1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]ethan-1-one
2-(4-tert-butylphenoxy)-1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | G680-0473 |
| Compound Name: | 2-(4-tert-butylphenoxy)-1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C26 H31 N3 O4 S |
| Smiles: | Cc1c(c(C)n(C(COc2ccc(cc2)C(C)(C)C)=O)n1)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2125 |
| logD: | 4.2125 |
| logSw: | -4.1406 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.197 |
| InChI Key: | LNFLWBDHLNLAHU-UHFFFAOYSA-N |