9-(4-nitrophenyl)-2-{[(4-nitrophenyl)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-nitrophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-nitrophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-1435 |
| Compound Name: | 9-(4-nitrophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 478.48 |
| Molecular Formula: | C22 H18 N6 O5 S |
| Smiles: | C1CC2=C(C(c3ccc(cc3)[N+]([O-])=O)n3c(N2)nc(n3)SCc2ccc(cc2)[N+]([O-])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1938 |
| logD: | 4.1319 |
| logSw: | -4.3373 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.83 |
| InChI Key: | VUHQQQFFZORVNZ-FQEVSTJZSA-N |