1-[(2,4-dichlorophenyl)methyl]-4-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-[(2,4-dichlorophenyl)methyl]-4-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine--hydrogen chloride (1/1)
1-[(2,4-dichlorophenyl)methyl]-4-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 0633-0066 |
| Compound Name: | 1-[(2,4-dichlorophenyl)methyl]-4-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine--hydrogen chloride (1/1) |
| Molecular Weight: | 515.87 |
| Molecular Formula: | C25 H24 Cl2 N6 |
| Salt: | HCl |
| Smiles: | C1CN(CCN1C/C=C/c1ccccc1)c1c2cnn(Cc3ccc(cc3[Cl])[Cl])c2ncn1 |
| Stereo: | ACHIRAL |
| logP: | 5.9247 |
| logD: | 5.9153 |
| logSw: | -6.4125 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.243 |
| InChI Key: | LPOJYIYWLCOAPO-QPJJXVBHSA-N |