9-(1-ethyl-1H-pyrazol-4-yl)-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-4-yl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(1-ethyl-1H-pyrazol-4-yl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y503-1349 |
| Compound Name: | 9-(1-ethyl-1H-pyrazol-4-yl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 330.41 |
| Molecular Formula: | C15 H18 N6 O S |
| Smiles: | CCn1cc(cn1)C1C2=C(CCCC2=O)Nc2nc(nn12)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7079 |
| logD: | 1.6177 |
| logSw: | -2.4015 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.84 |
| InChI Key: | VFUJFXRLYWIBRE-ZDUSSCGKSA-N |