Basic information
- Standard SMILES
CCCCc1nn(-c2cc([N+](=O)[O-])ccc2Cl)c(=O)n1Cc1ccc(-c2cc(CC)ccc2S(N)(=O)=O)cc1- InChIKey
ONDGJOSFDIEKOQ-UHFFFAOYSA-N- Molecular formula
- C27H28ClN5O5S
- Average molar mass
- 570.1 g/mol
Names & identifiers
- Preferred name
- 5-n-butyl-2-[2-chloro-5-nitrophenyl]-2,4-dihydro-4-[(2'-sulfamoyl-5'-ethylbiphenyl-4-yl)methyl]-3H-1,2,4-triazol-3-one
- IUPAC
- 2-[4-[[3-butyl-1-(2-chloro-5-nitrophenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]-4-ethylbenzenesulfonamide
Names & synonyms
SCHEMBL9142702ONDGJOSFDIEKOQ-UHFFFAOYSA-N5-n-butyl-2-[2-chloro-5-nitrophenyl]-2,4-dihydro-4-[(2'-sulfamoyl-5'-ethylbiphenyl-4-yl)methyl]-3H-1,2,4-triazol-3-one
Database identifiers
- PubChem CID
- 19939385
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
1 records
Compound notes
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