ethyl {[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetate
ethyl {[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C445-0143 |
| Compound Name: | ethyl {[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetate |
| Molecular Weight: | 469.47 |
| Molecular Formula: | C21 H19 N5 O6 S |
| Smiles: | CCOC(CSc1nc2cc(c(cc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9613 |
| logD: | 3.8614 |
| logSw: | -4.0768 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 98.87 |
| InChI Key: | JPZSHGQDVNQDIV-UHFFFAOYSA-N |