2-{[5-(2-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-dipropylacetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-dipropylacetamide
2-{[5-(2-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-dipropylacetamide
Compound characteristics
| Compound ID: | K898-1499 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-dipropylacetamide |
| Molecular Weight: | 432.97 |
| Molecular Formula: | C20 H25 Cl N6 O S |
| Smiles: | CCCN(CCC)C(CSC1=Nc2c(C(=N)N1c1ccccc1[Cl])c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2737 |
| logD: | -0.7134 |
| logSw: | -3.7993 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.651 |
| InChI Key: | CBUOZWVIZRKBLQ-UHFFFAOYSA-N |