9-(3,5-difluorophenyl)-2-methyl-6-(thiophen-2-yl)-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-methyl-6-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3,5-difluorophenyl)-2-methyl-6-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-6272 |
| Compound Name: | 9-(3,5-difluorophenyl)-2-methyl-6-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 398.43 |
| Molecular Formula: | C20 H16 F2 N4 O S |
| Smiles: | Cc1nc2NC3CC(CC(C=3C(c3cc(cc(c3)F)F)n2n1)=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8993 |
| logD: | 2.6084 |
| logSw: | -3.9511 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.976 |
| InChI Key: | KERRXZUYACANCR-UHFFFAOYSA-N |