2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K280-0149 |
| Compound Name: | 2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C22 H20 N6 O4 S |
| Smiles: | C1CC(CNC(CSc2nc3ccccc3c3nc(c4ccc(cc4)[N+]([O-])=O)nn23)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1987 |
| logD: | 3.1932 |
| logSw: | -3.4697 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.304 |
| InChI Key: | VBSGVRORYBYPNU-MRXNPFEDSA-N |