2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K898-0351 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide |
| Molecular Weight: | 499.39 |
| Molecular Formula: | C21 H19 Br N6 O2 S |
| Smiles: | Cc1c2C(=N)N(C(=Nc2[nH]n1)SCC(Nc1ccccc1OC)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.3306 |
| logD: | -0.938 |
| logSw: | -3.8145 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.851 |
| InChI Key: | CHPFNPCORPKPFV-UHFFFAOYSA-N |