Basic information
- CAS
942873-05-4- Standard SMILES
CC1Cc2cc(-c3cc(C(=O)Nc4ccc(N=Nc5ccccc5)cc4)no3)ccc2O1- InChIKey
QJJZZDZNYCBQRR-UHFFFAOYSA-N- Molecular formula
- C25H20N4O3
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.15354051
Names & identifiers
- Preferred name
- 3-Isoxazolecarboxamide, 5-(2,3-dihydro-2-methyl-5-benzofuranyl)-N-[4-(2-phenyldiazenyl)phenyl]-
- IUPAC
- 5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(4-phenyldiazenylphenyl)-1,2-oxazole-3-carboxamide
Names & synonyms
DTXSID301040024AKOS001531728AKOS0163301503-Isoxazolecarboxamide, 5-(2,3-dihydro-2-methyl-5-benzofuranyl)-N-[4-(2-phenyldiazenyl)phenyl]-942873-05-4
Database identifiers
- CAS
942873-05-4- PubChem CID
- 43843545
- DTXSID
DTXSID301040024
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 660
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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