4-bromo-2-(1-ethyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol
Chemical Structure Depiction of
4-bromo-2-(1-ethyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol
4-bromo-2-(1-ethyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol
Compound characteristics
| Compound ID: | 4116-0077 |
| Compound Name: | 4-bromo-2-(1-ethyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol |
| Molecular Weight: | 504.38 |
| Molecular Formula: | C26 H22 Br N3 O3 |
| Smiles: | CCc1c2c3cc(c(cc3c(c3cc(ccc3O)[Br])nc2n(c2ccccc2)n1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 6.7506 |
| logD: | 6.7433 |
| logSw: | -6.0776 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.359 |
| InChI Key: | PZUFEVKZQKVTLH-UHFFFAOYSA-N |