2-{[4-imino-3-methyl-5-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{[4-imino-3-methyl-5-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-{[4-imino-3-methyl-5-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K898-0559 |
| Compound Name: | 2-{[4-imino-3-methyl-5-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 589.69 |
| Molecular Formula: | C28 H27 N7 O4 S2 |
| Smiles: | Cc1c2C(=N)N(C(=Nc2[nH]n1)SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)c1ccc(cc1)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2504 |
| logD: | -2.0183 |
| logSw: | -2.7111 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 134.432 |
| InChI Key: | JPOBPIBVTAZJBL-UHFFFAOYSA-N |