6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-(4-ethylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-(4-ethylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-(4-ethylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K781-3586 |
| Compound Name: | 6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-(4-ethylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 469.36 |
| Molecular Formula: | C21 H17 Br N4 O2 S |
| Smiles: | CCc1ccc(cc1)N1C(=Nc2c(c[nH]n2)C1=O)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6413 |
| logD: | 4.6412 |
| logSw: | -4.396 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.673 |
| InChI Key: | VKAUKOYGCRCZDM-UHFFFAOYSA-N |