4-(2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzamide
Chemical Structure Depiction of
4-(2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzamide
4-(2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzamide
Compound characteristics
| Compound ID: | G873-0247 |
| Compound Name: | 4-(2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzamide |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C21 H18 N6 O4 S |
| Smiles: | COc1ccccc1n1c2c(cn1)C(NC(=N2)SCC(Nc1ccc(cc1)C(N)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5582 |
| logD: | 1.4952 |
| logSw: | -2.4386 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 112.989 |
| InChI Key: | UUZAAJIGBBQZNQ-UHFFFAOYSA-N |