9-(4-methylphenyl)-2-({[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methyl}sulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-methylphenyl)-2-({[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methyl}sulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-methylphenyl)-2-({[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methyl}sulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-1315 |
| Compound Name: | 9-(4-methylphenyl)-2-({[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methyl}sulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C32 H27 N5 O2 S |
| Smiles: | Cc1ccc(cc1)C1C2=C(CCCC2=O)Nc2nc(nn12)SCc1ccc(cc1)c1ncc(c2ccccc2)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9368 |
| logD: | 6.8749 |
| logSw: | -5.6496 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.519 |
| InChI Key: | LEPQQSJQAGMDNJ-LJAQVGFWSA-N |