N-(2-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(2-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-4-fluorobenzamide
N-(2-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | V004-7748 |
| Compound Name: | N-(2-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-4-fluorobenzamide |
| Molecular Weight: | 438.89 |
| Molecular Formula: | C22 H20 Cl F N6 O |
| Salt: | not_available |
| Smiles: | Cc1c2c(NCCNC(c3ccc(cc3)F)=O)nc(C)nc2n(c2ccccc2[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4243 |
| logD: | 3.3025 |
| logSw: | -3.9167 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.144 |
| InChI Key: | XSESOKHABWIACQ-UHFFFAOYSA-N |