1-(4-chlorophenyl)-6-[(prop-2-en-1-yl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-6-[(prop-2-en-1-yl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(4-chlorophenyl)-6-[(prop-2-en-1-yl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0096 |
| Compound Name: | 1-(4-chlorophenyl)-6-[(prop-2-en-1-yl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 318.78 |
| Molecular Formula: | C14 H11 Cl N4 O S |
| Smiles: | C=CCSC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.603 |
| logD: | 3.5256 |
| logSw: | -4.0935 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.723 |
| InChI Key: | VUYKNPJOVZSZLX-UHFFFAOYSA-N |