2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
Chemical Structure Depiction of
2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
Compound characteristics
| Compound ID: | F680-0696 |
| Compound Name: | 2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide |
| Molecular Weight: | 461.59 |
| Molecular Formula: | C25 H27 N5 O2 S |
| Smiles: | Cc1ccc(CN2C(C(=Nc3ccccc23)SCC(NCc2c(C)nn(C)c2C)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9455 |
| logD: | 2.9455 |
| logSw: | -3.421 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.909 |
| InChI Key: | NXCFNGZTEIBSII-UHFFFAOYSA-N |