N-{2-[(3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl}-4-fluorobenzamide
Chemical Structure Depiction of
N-{2-[(3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl}-4-fluorobenzamide
N-{2-[(3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | V024-7748 |
| Compound Name: | N-{2-[(3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl}-4-fluorobenzamide |
| Molecular Weight: | 404.45 |
| Molecular Formula: | C22 H21 F N6 O |
| Salt: | not_available |
| Smiles: | Cc1c2c(NCCNC(c3ccc(cc3)F)=O)nc(C)nc2n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.8863 |
| logD: | 2.7645 |
| logSw: | -3.4578 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.445 |
| InChI Key: | BGPYSMDRGUQHDU-UHFFFAOYSA-N |