Basic information
- Standard SMILES
CCOC(=O)N1CCN(C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)c2cc(OCC(=O)OCc3ccccc3)n(-c3ccccc3)n2)CC1- InChIKey
WUGBJOBYECREIT-UHFFFAOYSA-N- Molecular formula
- C35H43N5O9
- Average molar mass
- 677.7 g/mol
- Monoisotopic mass
- 677.30607797
Names & identifiers
- Preferred name
- Ethyl 4-[5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[5-(2-oxo-2-phenylmethoxyethoxy)-1-phenylpyrazole-3-carbonyl]amino]pentanoyl]piperazine-1-carboxylate
- IUPAC
- ethyl 4-[5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[5-(2-oxo-2-phenylmethoxyethoxy)-1-phenylpyrazole-3-carbonyl]amino]pentanoyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL951151
Database identifiers
- PubChem CID
- 66854262
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 17
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
2 records
Compound notes
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