8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
Chemical Structure Depiction of
8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
Compound characteristics
| Compound ID: | C445-0003 |
| Compound Name: | 8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione |
| Molecular Weight: | 383.38 |
| Molecular Formula: | C17 H13 N5 O4 S |
| Smiles: | COc1cc2c(cc1OC)NC(n1c2nc(c2ccc(cc2)[N+]([O-])=O)n1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.418 |
| logD: | 3.4115 |
| logSw: | -3.9852 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.789 |
| InChI Key: | XYTBZEJTLJHRJA-UHFFFAOYSA-N |