2-{[5-(3-chlorophenyl)-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-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyethyl)butanamide
2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyethyl)butanamide
Compound characteristics
| Compound ID: | K898-1227 |
| Compound Name: | 2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyethyl)butanamide |
| Molecular Weight: | 434.95 |
| Molecular Formula: | C19 H23 Cl N6 O2 S |
| Smiles: | CCC(C(NCCOC)=O)SC1=Nc2c(C(=N)N1c1cccc(c1)[Cl])c(C)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6441 |
| logD: | -1.6481 |
| logSw: | -3.8096 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.909 |
| InChI Key: | ASVPQSHYNCOHST-AWEZNQCLSA-N |