2-[(6-benzyl-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
Chemical Structure Depiction of
2-[(6-benzyl-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
2-[(6-benzyl-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | G020-0544 |
| Compound Name: | 2-[(6-benzyl-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-chlorophenyl)acetamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C21 H18 Cl N5 O2 S |
| Smiles: | Cn1cc2c(C(N(Cc3ccccc3)C(=N2)SCC(Nc2ccc(cc2)[Cl])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3421 |
| logD: | 3.342 |
| logSw: | -3.7622 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.367 |
| InChI Key: | AMRRXFVJTBKYIZ-UHFFFAOYSA-N |