2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K898-0648 |
| Compound Name: | 2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C21 H26 N6 O2 S |
| Smiles: | CCc1ccc(cc1)N1C(c2c(C)n[nH]c2N=C1SCC(NCC1CCCO1)=O)=N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8111 |
| logD: | -2.4575 |
| logSw: | -2.449 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.894 |
| InChI Key: | UZHNSOBTKYNGFS-MRXNPFEDSA-N |