2-{3,5-dimethyl-4-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonyl]-1H-pyrazol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{3,5-dimethyl-4-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonyl]-1H-pyrazol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{3,5-dimethyl-4-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonyl]-1H-pyrazol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | G935-0541 |
| Compound Name: | 2-{3,5-dimethyl-4-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonyl]-1H-pyrazol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 480.63 |
| Molecular Formula: | C22 H36 N6 O4 S |
| Smiles: | Cc1c(c(C)n(CC(N2CCCC2)=O)n1)S(N1CCC(CC1)C(N1CCN(C)CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.6581 |
| logD: | -1.0061 |
| logSw: | -1.0614 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.115 |
| InChI Key: | RBMFCVWCQJOECR-UHFFFAOYSA-N |