9-(3,5-difluorophenyl)-6-(thiophen-2-yl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3,5-difluorophenyl)-6-(thiophen-2-yl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3,5-difluorophenyl)-6-(thiophen-2-yl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-6435 |
| Compound Name: | 9-(3,5-difluorophenyl)-6-(thiophen-2-yl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 452.4 |
| Molecular Formula: | C20 H13 F5 N4 O S |
| Smiles: | C1C(CC(C2C(c3cc(cc(c3)F)F)n3c(NC1=2)nc(C(F)(F)F)n3)=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8029 |
| logD: | 0.9478 |
| logSw: | -4.8493 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.363 |
| InChI Key: | NUTWHHOSWGDHCE-UHFFFAOYSA-N |