2-(benzylsulfanyl)-9-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-9-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(benzylsulfanyl)-9-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-0734 |
| Compound Name: | 2-(benzylsulfanyl)-9-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 531.64 |
| Molecular Formula: | C31 H25 N5 O2 S |
| Smiles: | C1CC2=C(C(c3ccc(cc3)c3ncc(c4ccccc4)o3)n3c(N2)nc(n3)SCc2ccccc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5134 |
| logD: | 6.4515 |
| logSw: | -6.0402 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.519 |
| InChI Key: | RVKXXWWVCKIGPP-NDEPHWFRSA-N |