2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K781-6526 |
| Compound Name: | 2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 498.99 |
| Molecular Formula: | C23 H23 Cl N6 O3 S |
| Smiles: | Cc1cc(ccc1[Cl])N1C(c2c(N=C1SCC(Nc1ccc(c(c1)OC)OC)=O)n[nH]c2C)=N |
| Stereo: | ACHIRAL |
| logP: | 4.0278 |
| logD: | -0.9059 |
| logSw: | -4.6119 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.179 |
| InChI Key: | NNYBLMPMBGPVTN-UHFFFAOYSA-N |