N-benzyl-2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-benzyl-2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G873-0231 |
| Compound Name: | N-benzyl-2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 421.48 |
| Molecular Formula: | C21 H19 N5 O3 S |
| Smiles: | COc1ccccc1n1c2c(cn1)C(NC(=N2)SCC(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5936 |
| logD: | 2.5306 |
| logSw: | -3.3318 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.253 |
| InChI Key: | BTJSDSCDPGXRAR-UHFFFAOYSA-N |