N-benzyl-N-ethyl-2-{[4-imino-3-methyl-5-(3-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-N-ethyl-2-{[4-imino-3-methyl-5-(3-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-benzyl-N-ethyl-2-{[4-imino-3-methyl-5-(3-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-1122 |
| Compound Name: | N-benzyl-N-ethyl-2-{[4-imino-3-methyl-5-(3-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C24 H26 N6 O S |
| Smiles: | CCN(Cc1ccccc1)C(CSC1=Nc2c(C(=N)N1c1cccc(C)c1)c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4757 |
| logD: | -1.458 |
| logSw: | -3.8902 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.449 |
| InChI Key: | PASWNSPOPBHWPK-UHFFFAOYSA-N |