6-butyl-4-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
6-butyl-4-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
6-butyl-4-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V010-0482 |
| Compound Name: | 6-butyl-4-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 472.61 |
| Molecular Formula: | C28 H33 F N6 |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)Cc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.7625 |
| logD: | 5.2167 |
| logSw: | -5.8262 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.837 |
| InChI Key: | KKTPYFJCASPCIA-UHFFFAOYSA-N |