2-{[5-(4-bromophenyl)-4-imino-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-imino-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
2-{[5-(4-bromophenyl)-4-imino-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | K781-5850 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-imino-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one |
| Molecular Weight: | 474.76 |
| Molecular Formula: | C19 H13 Br Cl N5 O S |
| Smiles: | C(C(c1ccc(cc1)[Cl])=O)SC1=Nc2c(c[nH]n2)C(=N)N1c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.355 |
| logD: | -0.1758 |
| logSw: | -4.6439 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.368 |
| InChI Key: | DGGJCCUTXKCBMH-UHFFFAOYSA-N |