methyl 4-(2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G873-0224 |
| Compound Name: | methyl 4-(2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 465.49 |
| Molecular Formula: | C22 H19 N5 O5 S |
| Smiles: | COC(c1ccc(cc1)NC(CSC1NC(c2cnn(c3ccccc3OC)c2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.003 |
| logD: | 2.9401 |
| logSw: | -3.6475 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.104 |
| InChI Key: | ANOZGQIGLLFSHR-UHFFFAOYSA-N |