3-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-ethylphenyl)propanamide
Chemical Structure Depiction of
3-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-ethylphenyl)propanamide
3-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-ethylphenyl)propanamide
Compound characteristics
| Compound ID: | K781-9913 |
| Compound Name: | 3-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-ethylphenyl)propanamide |
| Molecular Weight: | 466.99 |
| Molecular Formula: | C23 H23 Cl N6 O S |
| Smiles: | CCc1ccccc1NC(CCSC1=Nc2c(C(=N)N1c1cccc(c1)[Cl])c(C)[nH]n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.463 |
| logD: | -0.479 |
| logSw: | -4.6959 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.22 |
| InChI Key: | YGLYIXGUORFWAM-UHFFFAOYSA-N |