N-[4-[3-(2-ethoxyethoxy)-5-(3-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]-4-hexyl-benzamide
Basic information
- CAS
6028-59-7- Standard SMILES
CCCCCCc1ccc(C(=O)Nc2ccc(-n3nc(OCCOCC)nc3-c3cccc(F)c3)cc2)cc1- InChIKey
NVNIKFPRKNCIIC-UHFFFAOYSA-N- Molecular formula
- C31H35FN4O3
- Average molar mass
- 530.6 g/mol
- Monoisotopic mass
- 530.26931915
Names & identifiers
- Preferred name
- N-[4-[3-(2-ethoxyethoxy)-5-(3-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]-4-hexyl-benzamide
- IUPAC
- N-[4-[3-(2-ethoxyethoxy)-5-(3-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]-4-hexylbenzamide
Names & synonyms
6028-59-7N-[4-[3-(2-ethoxyethoxy)-5-(3-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]-4-hexyl-benzamideN-[4-[3-(2-ethoxyethoxy)-5-(3-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]-4-hexylbenzamideN-{4-[3-(2-ETHOXYETHOXY)-5-(3-FLUOROPHENYL)-1H-1,2,4-TRIAZOL-1-YL]PHENYL}-4-HEXYLBENZAMIDEDTXSID50411309AKOS037457884
Database identifiers
- CAS
6028-59-7- PubChem CID
- 5224293
- DTXSID
DTXSID50411309
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 699
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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