Basic information
- Standard SMILES
CC(C)(C)OC(=O)C(=[N+]=[N-])c1ccc(Oc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)c(C#N)c1- InChIKey
HPYCJYBGQDKOQZ-UHFFFAOYSA-N- Molecular formula
- C28H25ClN4O4
- Average molar mass
- 517 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2-(4-(4-(4-chlorophenethylcarbamoyl)phenoxy)-3-cyanophenyl)-2-diazoacetate
- IUPAC
- tert-butyl 2-[4-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenoxy]-3-cyanophenyl]-2-diazoacetate
Names & synonyms
SCHEMBL2979736HPYCJYBGQDKOQZ-UHFFFAOYSA-Ntert-butyl 2-(4-(4-(4-chlorophenethylcarbamoyl)phenoxy)-3-cyanophenyl)-2-diazoacetate
Database identifiers
- PubChem CID
- 86643292
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 888
Related reactions
3 records
Compound notes
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