1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-phenylbutan-1-one
Chemical Structure Depiction of
1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-phenylbutan-1-one
1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-phenylbutan-1-one
Compound characteristics
| Compound ID: | V023-9537 |
| Compound Name: | 1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-phenylbutan-1-one |
| Molecular Weight: | 521.58 |
| Molecular Formula: | C29 H27 N7 O3 |
| Salt: | not_available |
| Smiles: | CCC(C(N1CCN(CC1)c1nc2ccccc2c2nnc(c3ccccc3[N+]([O-])=O)n12)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8631 |
| logD: | 4.8571 |
| logSw: | -4.8763 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.53 |
| InChI Key: | DPGQXHZHSUKYRG-OAQYLSRUSA-N |