9-(3,5-difluorophenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3,5-difluorophenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3,5-difluorophenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-1639 |
| Compound Name: | 9-(3,5-difluorophenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 348.37 |
| Molecular Formula: | C16 H14 F2 N4 O S |
| Smiles: | CSc1nc2NC3CCCC(C=3C(c3cc(cc(c3)F)F)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3616 |
| logD: | 3.2553 |
| logSw: | -3.7412 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.338 |
| InChI Key: | DLZSQWHOXSWOHZ-AWEZNQCLSA-N |