9-(1-ethyl-1H-pyrazol-5-yl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(1-ethyl-1H-pyrazol-5-yl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(1-ethyl-1H-pyrazol-5-yl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y501-3142 |
| Compound Name: | 9-(1-ethyl-1H-pyrazol-5-yl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 358.46 |
| Molecular Formula: | C17 H22 N6 O S |
| Smiles: | CCn1c(ccn1)C1C2=C(CC(C)(C)CC2=O)Nc2nc(nn12)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3342 |
| logD: | 2.0949 |
| logSw: | -2.8903 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.427 |
| InChI Key: | MZCYHIAOFTVAMH-AWEZNQCLSA-N |