N-[(3-chlorophenyl)methyl]-2-{[5-(4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-2-{[5-(4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-[(3-chlorophenyl)methyl]-2-{[5-(4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K781-5733 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-2-{[5-(4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 455.92 |
| Molecular Formula: | C21 H18 Cl N5 O3 S |
| Smiles: | COc1ccc(cc1)N1C(=Nc2c(cn[nH]2)C1=O)SCC(NCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9666 |
| logD: | 2.9643 |
| logSw: | -3.5939 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.442 |
| InChI Key: | JYJSKSZWRZDDHK-UHFFFAOYSA-N |