1-(4-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]piperazine-1-sulfonyl}phenyl)pyrrolidin-2-one
Chemical Structure Depiction of
1-(4-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]piperazine-1-sulfonyl}phenyl)pyrrolidin-2-one
1-(4-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]piperazine-1-sulfonyl}phenyl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | C301-5246 |
| Compound Name: | 1-(4-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]piperazine-1-sulfonyl}phenyl)pyrrolidin-2-one |
| Molecular Weight: | 531.64 |
| Molecular Formula: | C27 H29 N7 O3 S |
| Smiles: | Cc1cc(C)n(c2c(nc3ccccc3n2)N2CCN(CC2)S(c2ccc(cc2)N2CCCC2=O)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6776 |
| logD: | 3.6764 |
| logSw: | -3.8191 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.697 |
| InChI Key: | AEXHEXORZBEOTR-UHFFFAOYSA-N |