N-ethyl-2-{[5-(2-ethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
N-ethyl-2-{[5-(2-ethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-methylphenyl)acetamide
N-ethyl-2-{[5-(2-ethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | K781-5664 |
| Compound Name: | N-ethyl-2-{[5-(2-ethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C24 H25 N5 O2 S |
| Smiles: | CCc1ccccc1N1C(=Nc2c(cn[nH]2)C1=O)SCC(N(CC)c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.335 |
| logD: | 4.3332 |
| logSw: | -4.1723 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.217 |
| InChI Key: | JSYCRDOFEWUFHJ-UHFFFAOYSA-N |