N-[(2-chlorophenyl)methyl]-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-[(2-chlorophenyl)methyl]-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F248-0155 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 393.85 |
| Molecular Formula: | C16 H16 Cl N5 O3 S |
| Smiles: | C(c1ccccc1[Cl])NC(CSC1NC(c2cnn(CCO)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2043 |
| logD: | 1.1732 |
| logSw: | -2.6533 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.692 |
| InChI Key: | PEVPIDOKIZMLQH-UHFFFAOYSA-N |