N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-1263 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 452.58 |
| Molecular Formula: | C23 H28 N6 O2 S |
| Smiles: | Cc1c2C(=N)N(C(=Nc2[nH]n1)SCC(NCCC1CCCCC=1)=O)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5525 |
| logD: | -1.7161 |
| logSw: | -2.7589 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.817 |
| InChI Key: | JZRUVOHRFWTUAV-UHFFFAOYSA-N |