2-[(6-benzyl-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)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-chloro-4-methoxyphenyl)acetamide
2-[(6-benzyl-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G020-0219 |
| Compound Name: | 2-[(6-benzyl-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide |
| Molecular Weight: | 483.98 |
| Molecular Formula: | C23 H22 Cl N5 O3 S |
| Smiles: | CCn1cc2c(C(N(Cc3ccccc3)C(=N2)SCC(Nc2ccc(c(c2)[Cl])OC)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6652 |
| logD: | 3.6651 |
| logSw: | -3.9186 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.69 |
| InChI Key: | HHGKAZYDYYABQR-UHFFFAOYSA-N |