N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide
Basic information
- CAS
327053-22-5- Standard SMILES
CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1[N+](=O)[O-]- InChIKey
SJTKRVDAILRDKO-UHFFFAOYSA-N- Molecular formula
- C22H16ClN3O5
- Average molar mass
- 437.8 g/mol
- Monoisotopic mass
- 437.0778483
Names & identifiers
- Preferred name
- N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide
- IUPAC
- N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide
Names & synonyms
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide5764-84-1Oprea1_774036DTXSID80362234MFCD01144795AKOS001485864EU-0002770SR-01000411548SR-01000411548-1
Database identifiers
- CAS
327053-22-5、5764-84-1- PubChem CID
- 1365639
- DTXSID
DTXSID80362234
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 639
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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