1-(3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl)-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl)-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one
1-(3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl)-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C594-0088 |
| Compound Name: | 1-(3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl)-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 460.24 |
| Molecular Formula: | C17 H14 Br N7 O4 |
| Smiles: | Cc1c(c(nn1CC(n1c2c(cc3ccc(cc3n2)OC)c(N)n1)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.6048 |
| logD: | 1.6047 |
| logSw: | -2.654 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.972 |
| InChI Key: | LRYLESBNNRLNOV-UHFFFAOYSA-N |