N-[(2-chlorophenyl)methyl]-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
N-[(2-chlorophenyl)methyl]-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C445-0142 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 565.01 |
| Molecular Formula: | C26 H21 Cl N6 O5 S |
| Smiles: | COc1cc2c(cc1OC)nc(n1c2nc(c2ccc(cc2)[N+]([O-])=O)n1)SCC(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2135 |
| logD: | 5.2048 |
| logSw: | -5.7849 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.911 |
| InChI Key: | RRBWTBAXFSWCGL-UHFFFAOYSA-N |