methyl 4-{2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G873-0025 |
| Compound Name: | methyl 4-{2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSC1NC(c2cnn(c3ccccc3)c2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.079 |
| logD: | 3.016 |
| logSw: | -3.6047 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.775 |
| InChI Key: | JAVJPRNRDVTAIR-UHFFFAOYSA-N |