2-{[5-(3-chloro-4-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[5-(3-chloro-4-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-diethylacetamide
2-{[5-(3-chloro-4-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | K898-0256 |
| Compound Name: | 2-{[5-(3-chloro-4-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 418.95 |
| Molecular Formula: | C19 H23 Cl N6 O S |
| Smiles: | CCN(CC)C(CSC1=Nc2c(C(=N)N1c1ccc(C)c(c1)[Cl])c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1419 |
| logD: | -0.8495 |
| logSw: | -3.7699 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.445 |
| InChI Key: | GZYUGCNVYSEIOC-UHFFFAOYSA-N |