celiprolol
3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea
| Molecular Formula | C20H33N3O4 |
|---|---|
| Molecular Weight | 379.5 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 90.9 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 379.2471 |
| Heavy Atoms | 27 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 56980-93-9 |
|---|---|
| SMILES | CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C |
| InChIKey | JOATXPAWOHTVSZ-UHFFFAOYSA-N |
📖 Product Overview
celiprolol (CAS: 56980-93-9) is a chemical compound with molecular formula C20H33N3O4 and molecular weight 379.5 g/mol. Its IUPAC systematic name is 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea.
JOATXPAWOHTVSZ-UHFFFAOYSA-N.
SMILES: CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C.
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