2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide
2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | G020-0057 |
| Compound Name: | 2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 457.94 |
| Molecular Formula: | C21 H20 Cl N5 O3 S |
| Smiles: | CCn1cc2c(C(N(Cc3ccc(cc3)[Cl])C(=N2)SCC(NCc2ccco2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1813 |
| logD: | 3.1813 |
| logSw: | -3.5104 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.13 |
| InChI Key: | JEXPUFNSNXRWGL-UHFFFAOYSA-N |