2-{4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | G935-0514 |
| Compound Name: | 2-{4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 513.66 |
| Molecular Formula: | C26 H35 N5 O4 S |
| Smiles: | Cc1c(c(C)n(CC(N2CCCC2)=O)n1)S(N1CCC(CC1)C(N1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4051 |
| logD: | 1.4051 |
| logSw: | -2.3027 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.3 |
| InChI Key: | JLXWJOVLLNSZBD-UHFFFAOYSA-N |