N-[(furan-2-yl)methyl]-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
N-[(furan-2-yl)methyl]-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K280-0148 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 460.47 |
| Molecular Formula: | C22 H16 N6 O4 S |
| Smiles: | C(c1ccco1)NC(CSc1nc2ccccc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4938 |
| logD: | 4.4884 |
| logSw: | -4.5154 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.399 |
| InChI Key: | XNMGASQMOXDZPB-UHFFFAOYSA-N |