2-chloro-1-[4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
2-chloro-1-[4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one
2-chloro-1-[4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V011-1487 |
| Compound Name: | 2-chloro-1-[4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 412.92 |
| Molecular Formula: | C21 H25 Cl N6 O |
| Smiles: | CCCc1nc(c2cnn(c3ccccc3)c2n1)N1CCCN(CC1)C(C[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8512 |
| logD: | 3.7853 |
| logSw: | -3.8301 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.144 |
| InChI Key: | WEJIHLDQRCCXFI-UHFFFAOYSA-N |