Basic information
- Standard SMILES
CCCCc1nn(-c2cc([N+](=O)[O-])ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1- InChIKey
VAJDBLBNEUBISB-UHFFFAOYSA-N- Molecular formula
- C29H32ClN5O5S
- Average molar mass
- 598.1 g/mol
Names & identifiers
- Preferred name
- 5-n-butyl-4-[[2'-(N-t-butylsulfamoyl)biphenyl-4-yl]methyl]-2-(2-chloro-5-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- N-tert-butyl-2-[4-[[3-butyl-1-(2-chloro-5-nitrophenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide
Names & synonyms
SCHEMBL9143501VAJDBLBNEUBISB-UHFFFAOYSA-N5-n-butyl-4-[[2'-(N-t-butylsulfamoyl)biphenyl-4-yl]methyl]-2-(2-chloro-5-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Database identifiers
- PubChem CID
- 9985986
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
2 records
Compound notes
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