2-{[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-phenylethyl)acetamide
2-{[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | K898-0799 |
| Compound Name: | 2-{[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 466.99 |
| Molecular Formula: | C23 H23 Cl N6 O S |
| Smiles: | Cc1c(cccc1[Cl])N1C(c2c(C)n[nH]c2N=C1SCC(NCCc1ccccc1)=O)=N |
| Stereo: | ACHIRAL |
| logP: | 3.3085 |
| logD: | -0.7559 |
| logSw: | -3.9342 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.781 |
| InChI Key: | MCWKNBWQFWQVNY-UHFFFAOYSA-N |