2-[(6-benzyl-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-benzyl-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide
2-[(6-benzyl-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: | G020-0199 |
| Compound Name: | 2-[(6-benzyl-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | CCn1cc2c(C(N(Cc3ccccc3)C(=N2)SCC(NCc2ccco2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.5866 |
| logD: | 2.5866 |
| logSw: | -2.6979 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.13 |
| InChI Key: | VYQSRINAJFTQQN-UHFFFAOYSA-N |