6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K829-0365 |
| Compound Name: | 6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 469.36 |
| Molecular Formula: | C21 H17 Br N4 O2 S |
| Smiles: | Cc1ccc(cc1C)N1C(=Nc2c(cn[nH]2)C1=O)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6992 |
| logD: | 4.691 |
| logSw: | -4.3248 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.673 |
| InChI Key: | IFKZBGJEAITBIF-UHFFFAOYSA-N |