6-{[(4-bromophenyl)methyl]sulfanyl}-1-(2-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[(4-bromophenyl)methyl]sulfanyl}-1-(2-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[(4-bromophenyl)methyl]sulfanyl}-1-(2-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | G873-0252 |
| Compound Name: | 6-{[(4-bromophenyl)methyl]sulfanyl}-1-(2-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 443.32 |
| Molecular Formula: | C19 H15 Br N4 O2 S |
| Smiles: | COc1ccccc1n1c2c(cn1)C(NC(=N2)SCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0707 |
| logD: | 4.032 |
| logSw: | -4.1195 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.781 |
| InChI Key: | HEMDLXVTOMRBAT-UHFFFAOYSA-N |