N-butyl-2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-butyl-2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanamide
N-butyl-2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | K898-0214 |
| Compound Name: | N-butyl-2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanamide |
| Molecular Weight: | 412.56 |
| Molecular Formula: | C21 H28 N6 O S |
| Smiles: | CCCCNC(C(CC)SC1=Nc2c(C(=N)N1c1ccccc1C)c(C)n[nH]2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7524 |
| logD: | -0.8902 |
| logSw: | -4.0986 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.266 |
| InChI Key: | GDHRWRWTMHKGPF-INIZCTEOSA-N |