Basic information
- Standard SMILES
CCOCn1ccnc1C(=O)C(C)=CC(CC(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(C)C- InChIKey
PHDFRLQSBBNNNO-UHFFFAOYSA-N- Molecular formula
- C26H43N3O5
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.32027148
Names & identifiers
- Preferred name
- (1-{[4-(-Ethoxymethyl-1h-imidazol-2-yl)-1-isopropyl-3-methyl-4-oxo-but-2-enyl]-methyl-carbonyl}-2,2-dimethyl-propyl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[9-[1-(ethoxymethyl)imidazol-2-yl]-2,2,8-trimethyl-4,9-dioxo-6-propan-2-ylnon-7-en-3-yl]carbamate
Names & synonyms
SCHEMBL4372729PHDFRLQSBBNNNO-UHFFFAOYSA-N(1-{[4-(-ethoxymethyl-1h-imidazol-2-yl)-1-isopropyl-3-methyl-4-oxo-but-2-enyl]-methyl-carbonyl}-2,2-dimethyl-propyl)-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69020063
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 734
Related reactions
2 records
Compound notes
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