N,N-diethyl-2-{[5-(2-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N,N-diethyl-2-{[5-(2-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N,N-diethyl-2-{[5-(2-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-1411 |
| Compound Name: | N,N-diethyl-2-{[5-(2-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 398.53 |
| Molecular Formula: | C20 H26 N6 O S |
| Smiles: | CCc1ccccc1N1C(c2c(C)n[nH]c2N=C1SCC(N(CC)CC)=O)=N |
| Stereo: | ACHIRAL |
| logP: | 2.687 |
| logD: | -1.9557 |
| logSw: | -2.9518 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.144 |
| InChI Key: | BSMIENWKVDMZOM-UHFFFAOYSA-N |