ethyl 4-{2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | E960-0353 |
| Compound Name: | ethyl 4-{2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C24 H23 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=Nc2cnn(C)c2C(N1Cc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4303 |
| logD: | 3.4303 |
| logSw: | -3.5611 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.801 |
| InChI Key: | UEOYSHMSFGFSAH-UHFFFAOYSA-N |