Basic information
- Standard SMILES
Cn1nccc1-c1cc(NC(=O)ON2C(=O)CCC2=O)ccc1OCCNC(=O)OC(C)(C)C- InChIKey
KLQLCFAQVZQGII-UHFFFAOYSA-N- Molecular formula
- C22H27N5O7
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 473.19104822
Names & identifiers
- Preferred name
- tert-butyl {2-[4-({[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}amino)-2-(1-methyl-1H-pyrazol-5-yl)phenoxy]ethyl}carbamate
- IUPAC
- tert-butyl N-[2-[4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]carbamate
Names & synonyms
KLQLCFAQVZQGII-UHFFFAOYSA-Ntert-butyl {2-[4-({[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}amino)-2-(1-methyl-1H-pyrazol-5-yl)phenoxy]ethyl}carbamate
Database identifiers
- PubChem CID
- 86633178
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 755
Related reactions
16 records
Compound notes
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