2-{[5-(3-chloro-2-methylphenyl)-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-(3-chloro-2-methylphenyl)-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-(3-chloro-2-methylphenyl)-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: | K898-0801 |
| 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-(cyclohex-1-en-1-yl)ethyl]acetamide |
| Molecular Weight: | 471.02 |
| Molecular Formula: | C23 H27 Cl N6 O S |
| Smiles: | Cc1c(cccc1[Cl])N1C(c2c(C)n[nH]c2N=C1SCC(NCCC1CCCCC=1)=O)=N |
| Stereo: | ACHIRAL |
| logP: | 3.679 |
| logD: | -0.3855 |
| logSw: | -4.2257 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.973 |
| InChI Key: | QEKHGSDFVUATRL-UHFFFAOYSA-N |