2-{[4-imino-3-methyl-5-(3-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[4-imino-3-methyl-5-(3-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
2-{[4-imino-3-methyl-5-(3-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K898-1121 |
| Compound Name: | 2-{[4-imino-3-methyl-5-(3-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C22 H22 N6 O2 S |
| Smiles: | Cc1cccc(c1)N1C(c2c(C)n[nH]c2N=C1SCC(Nc1ccccc1OC)=O)=N |
| Stereo: | ACHIRAL |
| logP: | 2.9952 |
| logD: | -1.9385 |
| logSw: | -3.3983 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.851 |
| InChI Key: | IRIORZFQAWBTPY-UHFFFAOYSA-N |