5-(3-chloro-4-methylphenyl)-6-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(3-chloro-4-methylphenyl)-6-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(3-chloro-4-methylphenyl)-6-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K829-0130 |
| Compound Name: | 5-(3-chloro-4-methylphenyl)-6-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 455.88 |
| Molecular Formula: | C20 H14 Cl N5 O4 S |
| Smiles: | Cc1ccc(cc1[Cl])N1C(=Nc2c(cn[nH]2)C1=O)SCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1686 |
| logD: | 4.1666 |
| logSw: | -4.6026 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.055 |
| InChI Key: | UAIMYJNFYCKVFC-UHFFFAOYSA-N |