N-(4-ethoxyphenyl)-2-{[4-imino-5-(3-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-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(4-ethoxyphenyl)-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-0403 |
| Compound Name: | N-(4-ethoxyphenyl)-2-{[4-imino-5-(3-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)N1c1cccc(c1)OC)c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2765 |
| logD: | -0.8683 |
| logSw: | -3.6303 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.585 |
| InChI Key: | VRHPQZBZNDSINQ-UHFFFAOYSA-N |