1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)sulfanyl]ethan-1-one
1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | Y020-1196 |
| Compound Name: | 1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C26 H26 N4 O S |
| Smiles: | C1CCc2c(CC1)nc(nc2c1ccccc1)SCC(N1C(CC=N1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8009 |
| logD: | 5.8009 |
| logSw: | -5.777 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.957 |
| InChI Key: | PLHKDNRGYBFJJR-QHCPKHFHSA-N |