7-bromo-2-({[5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
7-bromo-2-({[5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
7-bromo-2-({[5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | K829-0183 |
| Compound Name: | 7-bromo-2-({[5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 560.22 |
| Molecular Formula: | C20 H12 Br2 N6 O2 S |
| Smiles: | C(C1=CC(N2C=C(C=CC2=N1)[Br])=O)SC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8695 |
| logD: | 2.8683 |
| logSw: | -3.4237 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.932 |
| InChI Key: | FGLSAKBCOQDFNA-UHFFFAOYSA-N |