5-(4-ethylphenyl)-6-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(4-ethylphenyl)-6-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(4-ethylphenyl)-6-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K829-0330 |
| Compound Name: | 5-(4-ethylphenyl)-6-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | CCc1ccc(cc1)N1C(=Nc2c(cn[nH]2)C1=O)SCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8444 |
| logD: | 3.8417 |
| logSw: | -3.8155 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.055 |
| InChI Key: | MHCHZIASOIYZBQ-UHFFFAOYSA-N |