2-{[5-(3,4-dimethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3,4-dimethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
2-{[5-(3,4-dimethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K898-0711 |
| Compound Name: | 2-{[5-(3,4-dimethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C24 H26 N6 O2 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2c(C(=N)N1c1ccc(C)c(C)c1)c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2451 |
| logD: | -0.6886 |
| logSw: | -4.2915 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.042 |
| InChI Key: | OHSPECHJVUOHMC-UHFFFAOYSA-N |