Basic information
- Standard SMILES
CCCCc1nn(-c2cc(N)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F- InChIKey
JLBCVSXZWQRNAI-UHFFFAOYSA-N- Molecular formula
- C33H28ClF4N5O4S
- Average molar mass
- 702.1 g/mol
Names & identifiers
- Preferred name
- 2-[5-amino-2-(trifluoromethyl)phenyl]-5-n-butyl-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]-3-fluorobiphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- N-[2-[4-[[1-[5-amino-2-(trifluoromethyl)phenyl]-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-chlorobenzamide
Names & synonyms
SCHEMBL9142501JLBCVSXZWQRNAI-UHFFFAOYSA-N2-[5-amino-2-(trifluoromethyl)phenyl]-5-n-butyl-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]-3-fluorobiphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Database identifiers
- PubChem CID
- 19939446
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,280
Related reactions
2 records
Compound notes
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