9-[4-(propan-2-yl)phenyl]-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-[4-(propan-2-yl)phenyl]-6-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-[4-(propan-2-yl)phenyl]-6-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-6246 |
| Compound Name: | 9-[4-(propan-2-yl)phenyl]-6-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 390.51 |
| Molecular Formula: | C22 H22 N4 O S |
| Smiles: | CC(C)c1ccc(cc1)C1C2=C(CC(CC2=O)c2cccs2)Nc2ncnn12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8379 |
| logD: | 4.4305 |
| logSw: | -4.4956 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.304 |
| InChI Key: | LHTWNFFHKVQQEF-UHFFFAOYSA-N |