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 |