5-(4-bromophenyl)-6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(4-bromophenyl)-6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(4-bromophenyl)-6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K829-0164 |
| Compound Name: | 5-(4-bromophenyl)-6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 510.19 |
| Molecular Formula: | C19 H11 Br Cl2 N4 O2 S |
| Smiles: | C(C(c1ccc(c(c1)[Cl])[Cl])=O)SC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0859 |
| logD: | 5.0831 |
| logSw: | -5.4619 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.673 |
| InChI Key: | BISPPQAPRHIPPU-UHFFFAOYSA-N |