1-{3-[4-(methylsulfanyl)phenyl]-5-(quinoxalin-6-yl)-4,5-dihydro-1H-pyrazol-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{3-[4-(methylsulfanyl)phenyl]-5-(quinoxalin-6-yl)-4,5-dihydro-1H-pyrazol-1-yl}ethan-1-one
1-{3-[4-(methylsulfanyl)phenyl]-5-(quinoxalin-6-yl)-4,5-dihydro-1H-pyrazol-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | IB04-1614 |
| Compound Name: | 1-{3-[4-(methylsulfanyl)phenyl]-5-(quinoxalin-6-yl)-4,5-dihydro-1H-pyrazol-1-yl}ethan-1-one |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C20 H18 N4 O S |
| Smiles: | CC(N1C(CC(c2ccc(cc2)SC)=N1)c1ccc2c(c1)nccn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.63 |
| logD: | 3.63 |
| logSw: | -4.31 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 131.37 |
| InChI Key: | VNPPPZOXROELAV-HXUWFJFHSA-N |