2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide
2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C200-4018 |
| Compound Name: | 2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide |
| Molecular Weight: | 502.36 |
| Molecular Formula: | C21 H17 Br F N5 O2 S |
| Smiles: | Cn1c2C(N(Cc3ccccc3)C(=Nc2cn1)SCC(Nc1ccc(cc1F)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5094 |
| logD: | 3.5045 |
| logSw: | -3.7839 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.35 |
| InChI Key: | LNJLNBPNAWHHGQ-UHFFFAOYSA-N |