Basic information
- Standard SMILES
CC1(C)OC[C@@H](Cn2ccc(NC(=O)C(CC3CCCC3)n3ncc(OCCc4ccccc4Cl)cc3=O)n2)O1- InChIKey
XQYBQXCTAZYOSE-XQZUBTRRSA-N- Molecular formula
- C29H36ClN5O5
- Average molar mass
- 570.1 g/mol
Names & identifiers
- Preferred name
- 2-{4-[2-(2-chloro-phenyl)-ethoxy]-6-oxo-6H-pyridazin-1-yl}-3-cyclopentyl-N-[1-((R)-2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-1H-pyrazol-3-yl]-propionamide
- IUPAC
- 2-[4-[2-(2-chlorophenyl)ethoxy]-6-oxopyridazin-1-yl]-3-cyclopentyl-N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]propanamide
Names & synonyms
SCHEMBL4299612XQYBQXCTAZYOSE-XQZUBTRRSA-N2-{4-[2-(2-chloro-phenyl)-ethoxy]-6-oxo-6H-pyridazin-1-yl}-3-cyclopentyl-N-[1-((R)-2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-1H-pyrazol-3-yl]-propionamide
Database identifiers
- PubChem CID
- 68993036
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 955
Related reactions
1 records
Compound notes
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