(4-chlorophenyl){4-[3-methyl-6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(4-chlorophenyl){4-[3-methyl-6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone
(4-chlorophenyl){4-[3-methyl-6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | V031-0318 |
| Compound Name: | (4-chlorophenyl){4-[3-methyl-6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 517.03 |
| Molecular Formula: | C28 H29 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(C3CCOCC3)nc2n(c2ccccc2)n1)N1CCN(CC1)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7521 |
| logD: | 4.606 |
| logSw: | -5.0152 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.26 |
| InChI Key: | KLXBAVUWSMQTCY-UHFFFAOYSA-N |