Basic information
- CAS
622334-24-1- Standard SMILES
COc1ccc(C(=O)ON=C2CC3(C(=O)Nc4ccc(N=Nc5ccccc5)cc4)CCC2(C)C3(C)C)cc1- InChIKey
SVUHVAMATUPBJB-UHFFFAOYSA-N- Molecular formula
- C31H32N4O4
- Average molar mass
- 524.6 g/mol
- Monoisotopic mass
- 524.24235551
Names & identifiers
- Preferred name
- Bicyclo[2.2.1]heptane-1-carboxamide, 3-[[(4-methoxybenzoyl)oxy]imino]-4,7,7-trimethyl-N-[4-(2-phenyldiazenyl)phenyl]-
- IUPAC
- [[1,7,7-trimethyl-4-[(4-phenyldiazenylphenyl)carbamoyl]-2-bicyclo[2.2.1]heptanylidene]amino] 4-methoxybenzoate
Names & synonyms
DTXSID601040423622334-24-1Bicyclo[2.2.1]heptane-1-carboxamide, 3-[[(4-methoxybenzoyl)oxy]imino]-4,7,7-trimethyl-N-[4-(2-phenyldiazenyl)phenyl]-
Database identifiers
- CAS
622334-24-1- PubChem CID
- 4714616
- DTXSID
DTXSID601040423
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 958
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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