2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | K898-0349 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 447.35 |
| Molecular Formula: | C18 H19 Br N6 O S |
| Smiles: | Cc1c2C(=N)N(C(=Nc2[nH]n1)SCC(N1CCCC1)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.6214 |
| logD: | -1.6472 |
| logSw: | -2.9243 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.527 |
| InChI Key: | QHADVHONKPLSST-UHFFFAOYSA-N |