1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}butan-2-ol
Chemical Structure Depiction of
1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}butan-2-ol
1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}butan-2-ol
Compound characteristics
| Compound ID: | V007-3865 |
| Compound Name: | 1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}butan-2-ol |
| Molecular Weight: | 447.5 |
| Molecular Formula: | C23 H25 N7 O3 |
| Salt: | not_available |
| Smiles: | CCC(CN1CCN(CC1)c1nc2ccccc2c2nnc(c3ccccc3[N+]([O-])=O)n12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.89 |
| logD: | 2.6281 |
| logSw: | -3.396 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.505 |
| InChI Key: | HYEAQAWATDYHMG-INIZCTEOSA-N |