3-{[5-(2-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-ethoxyphenyl)propanamide
Chemical Structure Depiction of
3-{[5-(2-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-ethoxyphenyl)propanamide
3-{[5-(2-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-ethoxyphenyl)propanamide
Compound characteristics
| Compound ID: | K784-1191 |
| Compound Name: | 3-{[5-(2-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-ethoxyphenyl)propanamide |
| Molecular Weight: | 482.99 |
| Molecular Formula: | C23 H23 Cl N6 O2 S |
| Smiles: | CCOc1ccccc1NC(CCSC1=Nc2c(C(=N)N1c1ccccc1[Cl])c(C)[nH]n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.987 |
| logD: | -0.9507 |
| logSw: | -4.4891 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.13 |
| InChI Key: | FAZWMTPZHLZZIC-UHFFFAOYSA-N |