5-(2-methylphenyl)-6-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(2-methylphenyl)-6-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(2-methylphenyl)-6-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K829-0010 |
| Compound Name: | 5-(2-methylphenyl)-6-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 421.43 |
| Molecular Formula: | C20 H15 N5 O4 S |
| Smiles: | Cc1ccccc1N1C(=Nc2c(cn[nH]2)C1=O)SCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3419 |
| logD: | 3.3389 |
| logSw: | -3.7076 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.754 |
| InChI Key: | LYGDEMSWQTYXJW-UHFFFAOYSA-N |