Basic information
- Standard SMILES
CCCCc1nn(-c2cc([N+](=O)[O-])ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Oc2ccccc2)cc1- InChIKey
OWPISDDZIPLHKZ-UHFFFAOYSA-N- Molecular formula
- C38H32ClN5O7S
- Average molar mass
- 738.2 g/mol
Names & identifiers
- Preferred name
- 5-n-Butyl-2-[2-chloro-5-nitrophenyl]-2,4-dihydro-4-[[2'-[N-(2-phenoxybenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-3H-1,2,4-triazol-3-one
- IUPAC
- N-[2-[4-[[3-butyl-1-(2-chloro-5-nitrophenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-phenoxybenzamide
Names & synonyms
SCHEMBL9140922OWPISDDZIPLHKZ-UHFFFAOYSA-N5-n-Butyl-2-[2-chloro-5-nitrophenyl]-2,4-dihydro-4-[[2'-[N-(2-phenoxybenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-3H-1,2,4-triazol-3-one
Database identifiers
- PubChem CID
- 19939396
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,370
Related reactions
1 records
Compound notes
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