1-[3-(5-{3-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-oxopropyl}-4-imino-3-(4-phenoxyphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
Structure Info
- Chemspace ID
- CSSB20522002213 (In-Stock Building Blocks)
- IUPAC Name
- 1-[3-(5-{3-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-oxopropyl}-4-imino-3-(4-phenoxyphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
- Mol formula
- C50H48N12O4
- Mol weight
- 881 Da
- Catalog Number(s)
- BBLS20522002213, EN300-52102205, Z9211048527, bbls20522002213
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 6.44
- Heavy atoms count
- 66
- Rotatable bond count
- 12
- Number of rings
- 10
- Carbon bond saturation, Fsp3
- 0.24
- Polar surface area (Å)
- 186
- Hydrogen bond acceptors count
- 10
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSSB20522002213
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