2-{[5-(3-chloro-2-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-(3-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-diethylbutanamide
2-{[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-diethylbutanamide
Compound characteristics
| Compound ID: | K784-0730 |
| Compound Name: | 2-{[5-(3-chloro-2-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)N1c1cccc(c1C)[Cl])c(C)[nH]n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4247 |
| logD: | 0.0593 |
| logSw: | -4.7241 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.671 |
| InChI Key: | GIKTUBSLBYTFIJ-INIZCTEOSA-N |