N-(3-chlorophenyl)-2-{[5-(4-ethoxyphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[5-(4-ethoxyphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(3-chlorophenyl)-2-{[5-(4-ethoxyphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-0882 |
| Compound Name: | N-(3-chlorophenyl)-2-{[5-(4-ethoxyphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C22 H21 Cl N6 O2 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2c(C)n[nH]c2N=C1SCC(Nc1cccc(c1)[Cl])=O)=N |
| Stereo: | ACHIRAL |
| logP: | 3.8662 |
| logD: | -0.4025 |
| logSw: | -4.5122 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.042 |
| InChI Key: | ZMWNVIACHCAASA-UHFFFAOYSA-N |