3-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl][1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
3-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl][1,2,4]triazolo[4,3-c]quinazoline
3-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl][1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | E881-0004 |
| Compound Name: | 3-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl][1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 389.42 |
| Molecular Formula: | C20 H19 N7 O2 |
| Smiles: | Cc1nnc2c3ccccc3nc(N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 3.1624 |
| logD: | 3.0172 |
| logSw: | -3.2032 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.684 |
| InChI Key: | XPQBDYWVKFUWLO-UHFFFAOYSA-N |