2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}[1,2,4]triazolo[1,5-c]quinazoline
2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | Y502-6968 |
| Compound Name: | 2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 399.41 |
| Molecular Formula: | C21 H17 N7 O2 |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)c2nc3c4ccccc4ncn3n2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1234 |
| logD: | 3.0473 |
| logSw: | -3.3255 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 76.791 |
| InChI Key: | WPXDABUDUWNQBC-UHFFFAOYSA-N |