N-benzyl-2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-benzyl-2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G873-0136 |
| Compound Name: | N-benzyl-2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C20 H16 Cl N5 O2 S |
| Smiles: | C(c1ccccc1)NC(CSC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3858 |
| logD: | 3.3228 |
| logSw: | -4 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.923 |
| InChI Key: | NCTGDJNVUOSICH-UHFFFAOYSA-N |