2-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
2-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[1,2,4]triazolo[1,5-c]quinazoline
2-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | Y502-6263 |
| Compound Name: | 2-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 450.25 |
| Molecular Formula: | C19 H12 Br N7 O2 |
| Smiles: | C(c1cccc(c1)c1nc2c3ccccc3ncn2n1)n1cc(c(n1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.4712 |
| logD: | 3.3902 |
| logSw: | -3.7027 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.326 |
| InChI Key: | KPXLOCIPLKIDHI-UHFFFAOYSA-N |