2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-6,6-dimethyl-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-6,6-dimethyl-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-6,6-dimethyl-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2907 |
| Compound Name: | 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-6,6-dimethyl-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 489.6 |
| Molecular Formula: | C26 H27 N5 O3 S |
| Smiles: | Cc1ccc(C)c(CSc2nc3NC4CC(C)(C)CC(C=4C(c4cccc(c4)[N+]([O-])=O)n3n2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3254 |
| logD: | 6.1864 |
| logSw: | -5.3853 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.448 |
| InChI Key: | QSGWHSHFXVIRLK-QHCPKHFHSA-N |