2-{4-[4-(4-cyclohexylpiperazine-1-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-(4-cyclohexylpiperazine-1-carbonyl)piperidine-1-sulfonyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{4-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidine-1-sulfonyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | G935-0508 |
| Compound Name: | 2-{4-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidine-1-sulfonyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 548.75 |
| Molecular Formula: | C27 H44 N6 O4 S |
| Smiles: | Cc1c(c(C)n(CC(N2CCCC2)=O)n1)S(N1CCC(CC1)C(N1CCN(CC1)C1CCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1809 |
| logD: | 0.7683 |
| logSw: | -1.7564 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.731 |
| InChI Key: | BOALAFHXBLSAQM-UHFFFAOYSA-N |