N,N-diethyl-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N,N-diethyl-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanamide
N,N-diethyl-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | K898-0675 |
| Compound Name: | N,N-diethyl-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanamide |
| Molecular Weight: | 426.58 |
| Molecular Formula: | C22 H30 N6 O S |
| Smiles: | CCC(C(N(CC)CC)=O)SC1=Nc2c(C(=N)N1c1ccc(CC)cc1)c(C)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8726 |
| logD: | -0.6969 |
| logSw: | -4.136 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.972 |
| InChI Key: | GEJKLMLYXKFOHT-KRWDZBQOSA-N |