4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-6-[4-(2-phenylethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidin-3-amine
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-6-[4-(2-phenylethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidin-3-amine
4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-6-[4-(2-phenylethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidin-3-amine
Compound characteristics
| Compound ID: | V020-3139 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-6-[4-(2-phenylethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidin-3-amine |
| Molecular Weight: | 554.05 |
| Molecular Formula: | C30 H28 Cl N7 O2 |
| Salt: | not_available |
| Smiles: | C(CN1CCN(CC1)c1nc(c2ccc3c(c2)OCO3)c2c(n1)nn(c1ccc(cc1)[Cl])c2N)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9905 |
| logD: | 5.7971 |
| logSw: | -6.4151 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.456 |
| InChI Key: | MVRHDTZXMUWDDF-UHFFFAOYSA-N |