Basic information
- Standard SMILES
COc1c(C#N)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(N=[N+]=[N-])c1- InChIKey
KIPPLXLYBYTASP-UHFFFAOYSA-N- Molecular formula
- C20H21N5O2
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.16952493
Names & identifiers
- Preferred name
- 3-Azido-N-(5-tert-butyl-3-cyano-2-methoxy-phenyl)-4-methyl-benzamide
- IUPAC
- 3-azido-N-(5-tert-butyl-3-cyano-2-methoxyphenyl)-4-methylbenzamide
Names & synonyms
SCHEMBL13848934KIPPLXLYBYTASP-UHFFFAOYSA-N3-Azido-N-(5-tert-butyl-3-cyano-2-methoxy-phenyl)-4-methyl-benzamide
Database identifiers
- PubChem CID
- 21097302
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 628
Related reactions
3 records
Compound notes
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