6-{[(3-chlorophenyl)methyl]sulfanyl}-1-(2-hydroxyethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[(3-chlorophenyl)methyl]sulfanyl}-1-(2-hydroxyethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[(3-chlorophenyl)methyl]sulfanyl}-1-(2-hydroxyethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | F248-0161 |
| Compound Name: | 6-{[(3-chlorophenyl)methyl]sulfanyl}-1-(2-hydroxyethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 336.8 |
| Molecular Formula: | C14 H13 Cl N4 O2 S |
| Smiles: | C(CO)n1c2c(cn1)C(NC(=N2)SCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9985 |
| logD: | 1.9796 |
| logSw: | -2.9742 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.221 |
| InChI Key: | WDLFFYGSTZAVMN-UHFFFAOYSA-N |