2-{[5-(3-chloro-4-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyethyl)butanamide
Chemical Structure Depiction of
2-{[5-(3-chloro-4-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyethyl)butanamide
2-{[5-(3-chloro-4-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyethyl)butanamide
Compound characteristics
| Compound ID: | K898-0303 |
| Compound Name: | 2-{[5-(3-chloro-4-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyethyl)butanamide |
| Molecular Weight: | 448.97 |
| Molecular Formula: | C20 H25 Cl N6 O2 S |
| Smiles: | CCC(C(NCCOC)=O)SC1=Nc2c(C(=N)N1c1ccc(C)c(c1)[Cl])c(C)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2595 |
| logD: | -1.0328 |
| logSw: | -3.8411 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.909 |
| InChI Key: | JDEUBEDSWMBPIU-HNNXBMFYSA-N |