Basic information
- Standard SMILES
CCCCNC(=O)c1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(Br)cc3F)c2=O)c1- InChIKey
IGAUSCNYTTVBTQ-UHFFFAOYSA-N- Molecular formula
- C24H27BrClFN4O2
- Average molar mass
- 537.8 g/mol
Names & identifiers
- Preferred name
- 4-(4-Bromo-2-fluorobenzyl)-5-n-butyl-2-[5-(N-n-butylcarbamoyl)-2-chloro-phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- 3-[4-[(4-bromo-2-fluorophenyl)methyl]-3-butyl-5-oxo-1,2,4-triazol-1-yl]-N-butyl-4-chlorobenzamide
Names & synonyms
SCHEMBL9145364IGAUSCNYTTVBTQ-UHFFFAOYSA-N4-(4-Bromo-2-fluorobenzyl)-5-n-butyl-2-[5-(N-n-butylcarbamoyl)-2-chloro-phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one4-(4-Bromo-2-fluorobenzyl)-5-n-butyl-2-[5-(N-n-butylcarbamoyl)-2-chlorophenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Database identifiers
- PubChem CID
- 10075899
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 712
Related reactions
2 records
Compound notes
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