2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]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-(cyclohex-1-en-1-yl)ethyl]acetamide
2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | K898-0339 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide |
| Molecular Weight: | 501.45 |
| Molecular Formula: | C22 H25 Br N6 O S |
| Smiles: | Cc1c2C(=N)N(C(=Nc2[nH]n1)SCC(NCCC1CCCCC=1)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.404 |
| logD: | -0.8646 |
| logSw: | -3.8197 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.274 |
| InChI Key: | QHNCYODVOYWTNX-UHFFFAOYSA-N |