2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-diethylbutanamide
Chemical Structure Depiction of
2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-diethylbutanamide
2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-diethylbutanamide
Compound characteristics
| Compound ID: | K781-6519 |
| Compound Name: | 2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-diethylbutanamide |
| Molecular Weight: | 447 |
| Molecular Formula: | C21 H27 Cl N6 O S |
| Smiles: | CCC(C(N(CC)CC)=O)SC1=Nc2c(C(=N)N1c1ccc(c(C)c1)[Cl])c(C)[nH]n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6913 |
| logD: | -0.5434 |
| logSw: | -5.0693 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.972 |
| InChI Key: | MDIUJBKEOOQEII-INIZCTEOSA-N |