2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-1-phenylethan-1-one
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | C445-0127 |
| Compound Name: | 2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 501.52 |
| Molecular Formula: | C25 H19 N5 O5 S |
| Smiles: | COc1cc2c(cc1OC)nc(n1c2nc(c2ccc(cc2)[N+]([O-])=O)n1)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7723 |
| logD: | 4.766 |
| logSw: | -4.7843 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.686 |
| InChI Key: | RIQQQYAUAVKBDV-UHFFFAOYSA-N |