N-(4-ethoxyphenyl)-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(4-ethoxyphenyl)-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-1250 |
| Compound Name: | N-(4-ethoxyphenyl)-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 464.55 |
| Molecular Formula: | C23 H24 N6 O3 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2c(C(=N)N1c1ccc(cc1)OC)c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.095 |
| logD: | -1.1736 |
| logSw: | -3.46 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.585 |
| InChI Key: | APCVZKKPEFZMGY-UHFFFAOYSA-N |