N-(2,4-dimethoxyphenyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
N-(2,4-dimethoxyphenyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K280-0284 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 516.53 |
| Molecular Formula: | C25 H20 N6 O5 S |
| Smiles: | COc1ccc(c(c1)OC)NC(CSc1nc2ccccc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8071 |
| logD: | 4.8016 |
| logSw: | -4.8825 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.804 |
| InChI Key: | WFUGXCHLHKEZKV-UHFFFAOYSA-N |