2-benzyl-4-(3-chloro-4-fluorophenyl)-N~6~-(2-phenoxyethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
Chemical Structure Depiction of
2-benzyl-4-(3-chloro-4-fluorophenyl)-N~6~-(2-phenoxyethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
2-benzyl-4-(3-chloro-4-fluorophenyl)-N~6~-(2-phenoxyethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
Compound characteristics
| Compound ID: | V022-7664 |
| Compound Name: | 2-benzyl-4-(3-chloro-4-fluorophenyl)-N~6~-(2-phenoxyethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine |
| Molecular Weight: | 488.95 |
| Molecular Formula: | C26 H22 Cl F N6 O |
| Salt: | not_available |
| Smiles: | C(COc1ccccc1)Nc1nc(c2ccc(c(c2)[Cl])F)c2c(n1)nn(Cc1ccccc1)c2N |
| Stereo: | ACHIRAL |
| logP: | 5.811 |
| logD: | 5.8109 |
| logSw: | -6.201 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.934 |
| InChI Key: | ODKRVYUKBSIICW-UHFFFAOYSA-N |