2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-cyclohexylacetamide
Chemical Structure Depiction of
2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-cyclohexylacetamide
2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-cyclohexylacetamide
Compound characteristics
| Compound ID: | K898-1189 |
| Compound Name: | 2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-cyclohexylacetamide |
| Molecular Weight: | 430.96 |
| Molecular Formula: | C20 H23 Cl N6 O S |
| Smiles: | Cc1c2C(=N)N(C(=Nc2[nH]n1)SCC(NC1CCCCC1)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2791 |
| logD: | -0.7123 |
| logSw: | -4.1068 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.965 |
| InChI Key: | QPBFDJADQOULCT-UHFFFAOYSA-N |