2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
Chemical Structure Depiction of
2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
Compound characteristics
| Compound ID: | K280-0003 |
| Compound Name: | 2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione |
| Molecular Weight: | 323.33 |
| Molecular Formula: | C15 H9 N5 O2 S |
| Smiles: | c1ccc2c(c1)c1nc(c3ccc(cc3)[N+]([O-])=O)nn1C(N2)=S |
| Stereo: | ACHIRAL |
| logP: | 3.7423 |
| logD: | 3.7419 |
| logSw: | -4.3446 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.528 |
| InChI Key: | BQBZRMYZMRVUBH-UHFFFAOYSA-N |