9-(4-nitrophenyl)-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-nitrophenyl)-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-nitrophenyl)-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: | C202-1312 |
| Compound Name: | 9-(4-nitrophenyl)-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: | 576.63 |
| Molecular Formula: | C31 H24 N6 O4 S |
| Smiles: | C1CC2=C(C(c3ccc(cc3)[N+]([O-])=O)n3c(N2)nc(n3)SCc2ccc(cc2)c2ncc(c3ccccc3)o2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4391 |
| logD: | 6.3772 |
| logSw: | -6.0381 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.9 |
| InChI Key: | JVQCQWGHJKUPIF-NDEPHWFRSA-N |