7-bromo-2-({[5-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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: | K781-5637 |
| Compound Name: | 7-bromo-2-({[5-(4-methoxyphenyl)-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: | 511.36 |
| Molecular Formula: | C21 H15 Br N6 O3 S |
| Smiles: | COc1ccc(cc1)N1C(=Nc2c(cn[nH]2)C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.018 |
| logD: | 2.0168 |
| logSw: | -2.6128 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.476 |
| InChI Key: | URMIGARECRJRSU-UHFFFAOYSA-N |