6-(furan-2-yl)-9-[4-(methylsulfanyl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
6-(furan-2-yl)-9-[4-(methylsulfanyl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
6-(furan-2-yl)-9-[4-(methylsulfanyl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-6209 |
| Compound Name: | 6-(furan-2-yl)-9-[4-(methylsulfanyl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C20 H18 N4 O2 S |
| Smiles: | CSc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccco2)Nc2ncnn12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7957 |
| logD: | 3.3884 |
| logSw: | -4.0065 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.864 |
| InChI Key: | FJCSFSXIQJCVHR-UHFFFAOYSA-N |