methyl 4-(2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G873-0131 |
| Compound Name: | methyl 4-(2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 469.9 |
| Molecular Formula: | C21 H16 Cl N5 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7952 |
| logD: | 3.7323 |
| logSw: | -4.4593 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.775 |
| InChI Key: | JRLZJAQFRUYRIZ-UHFFFAOYSA-N |