2-cyclohexyl-1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-cyclohexyl-1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]ethan-1-one
2-cyclohexyl-1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | G680-0410 |
| Compound Name: | 2-cyclohexyl-1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 415.55 |
| Molecular Formula: | C22 H29 N3 O3 S |
| Smiles: | Cc1c(c(C)n(C(CC2CCCCC2)=O)n1)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5723 |
| logD: | 3.5723 |
| logSw: | -3.8019 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.89 |
| InChI Key: | VWJMMLCNSQUFRR-UHFFFAOYSA-N |