2-[(6-benzyl-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
Chemical Structure Depiction of
2-[(6-benzyl-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
2-[(6-benzyl-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | G020-0222 |
| Compound Name: | 2-[(6-benzyl-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(3-chlorophenyl)acetamide |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C22 H20 Cl N5 O2 S |
| Smiles: | CCn1cc2c(C(N(Cc3ccccc3)C(=N2)SCC(Nc2cccc(c2)[Cl])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9082 |
| logD: | 3.9081 |
| logSw: | -4.0653 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.06 |
| InChI Key: | MSZTYEHIGAXSCX-UHFFFAOYSA-N |