5-(4-bromophenyl)-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(4-bromophenyl)-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(4-bromophenyl)-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
Compound ID: | K829-0166 |
Compound Name: | 5-(4-bromophenyl)-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
Molecular Weight: | 475.75 |
Molecular Formula: | C19 H12 Br Cl N4 O2 S |
Smiles: | C(C(c1ccc(cc1)[Cl])=O)SC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 4.1614 |
logD: | 4.1587 |
logSw: | -4.5673 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.673 |
InChI Key: | PPBVHTDBPZOUOX-UHFFFAOYSA-N |