2-chloro-1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one
Chemical Structure Depiction of
2-chloro-1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one
2-chloro-1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one
Compound characteristics
| Compound ID: | V012-0326 |
| Compound Name: | 2-chloro-1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one |
| Molecular Weight: | 455 |
| Molecular Formula: | C24 H31 Cl N6 O |
| Salt: | not_available |
| Smiles: | CCCC(C)c1nc(c2cnn(c3ccccc3)c2n1)N1CCCN(CC1)C(C(C)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3898 |
| logD: | 5.2782 |
| logSw: | -5.5165 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.681 |
| InChI Key: | XWFNFLFABMIALV-UHFFFAOYSA-N |