N-(5-chloro-2-methylphenyl)-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
N-(5-chloro-2-methylphenyl)-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C445-0174 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-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: | Cc1ccc(cc1NC(CSc1nc2cc(c(cc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)OC)OC)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2073 |
| logD: | 5.2008 |
| logSw: | -5.7623 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.891 |
| InChI Key: | LADOAUQJCBLASW-UHFFFAOYSA-N |