N-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-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: | K898-1248 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 508.6 |
| Molecular Formula: | C25 H28 N6 O4 S |
| Smiles: | Cc1c2C(=N)N(C(=Nc2[nH]n1)SCC(NCCc1ccc(c(c1)OC)OC)=O)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 1.6991 |
| logD: | -2.5695 |
| logSw: | -2.4822 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.886 |
| InChI Key: | BQPBPAVQAYWYFR-UHFFFAOYSA-N |