2-{[5-(5-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(5-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
2-{[5-(5-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K898-0092 |
| Compound Name: | 2-{[5-(5-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C22 H21 Cl N6 O2 S |
| Smiles: | Cc1ccc(cc1N1C(c2c(C)n[nH]c2N=C1SCC(Nc1cccc(c1)OC)=O)=N)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.97 |
| logD: | -0.0944 |
| logSw: | -4.6524 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.161 |
| InChI Key: | YPTRVVAISYSBCZ-UHFFFAOYSA-N |