2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-butyl-N-ethylacetamide
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-butyl-N-ethylacetamide
2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-butyl-N-ethylacetamide
Compound characteristics
| Compound ID: | K898-0347 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-butyl-N-ethylacetamide |
| Molecular Weight: | 477.42 |
| Molecular Formula: | C20 H25 Br N6 O S |
| Smiles: | CCCCN(CC)C(CSC1=Nc2c(C(=N)N1c1ccc(cc1)[Br])c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7188 |
| logD: | -0.5498 |
| logSw: | -3.9804 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.699 |
| InChI Key: | BGKGSUPPYNQWIT-UHFFFAOYSA-N |