1-(4-chlorophenyl)-6-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-6-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(4-chlorophenyl)-6-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0128 |
| Compound Name: | 1-(4-chlorophenyl)-6-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 480.97 |
| Molecular Formula: | C23 H21 Cl N6 O2 S |
| Smiles: | C1CN(CCN1C(CSC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6026 |
| logD: | 3.5396 |
| logSw: | -4.1496 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.104 |
| InChI Key: | NTSVBSQIUUIBHV-UHFFFAOYSA-N |