2-(1-benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl)-4-bromophenol
Chemical Structure Depiction of
2-(1-benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl)-4-bromophenol
2-(1-benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl)-4-bromophenol
Compound characteristics
| Compound ID: | 4116-0076 |
| Compound Name: | 2-(1-benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl)-4-bromophenol |
| Molecular Weight: | 566.45 |
| Molecular Formula: | C31 H24 Br N3 O3 |
| Smiles: | COc1cc2c(cc1OC)c(c1cc(ccc1O)[Br])nc1c2c(Cc2ccccc2)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.706 |
| logD: | 7.6986 |
| logSw: | -6.1196 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.088 |
| InChI Key: | CLNHLHIBIQRBBQ-UHFFFAOYSA-N |