N-benzyl-2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-benzyl-2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-1178 |
| Compound Name: | N-benzyl-2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 438.94 |
| Molecular Formula: | C21 H19 Cl N6 O S |
| Smiles: | Cc1c2C(=N)N(C(=Nc2[nH]n1)SCC(NCc1ccccc1)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.0645 |
| logD: | -0.9269 |
| logSw: | -3.9001 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.24 |
| InChI Key: | GMKWSZKRLXABRN-UHFFFAOYSA-N |