ethyl 2-(2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
ethyl 2-(2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | K898-0355 |
| Compound Name: | ethyl 2-(2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 541.43 |
| Molecular Formula: | C23 H21 Br N6 O3 S |
| Smiles: | CCOC(c1ccccc1NC(CSC1=Nc2c(C(=N)N1c1ccc(cc1)[Br])c(C)n[nH]2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8458 |
| logD: | -0.4228 |
| logSw: | -4.1473 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.974 |
| InChI Key: | KWKWIGBYHXCULH-UHFFFAOYSA-N |