Basic information
- Standard SMILES
CCCCc1nn(-c2cc(NC(=O)OCCC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1- InChIKey
YDPQWZARWLMAFJ-UHFFFAOYSA-N- Molecular formula
- C36H35Cl2N5O6S
- Average molar mass
- 736.7 g/mol
Names & identifiers
- Preferred name
- (3-{3-Butyl-4-[2''-(2-chloro-benzoylsulfamoyl)-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-4-chloro-phenyl)-carbamic acid propyl ester
- IUPAC
- propyl N-[3-[3-butyl-4-[[4-[2-[(2-chlorobenzoyl)sulfamoyl]phenyl]phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-chlorophenyl]carbamate
Names & synonyms
CHEMBL139041SCHEMBL9142057YDPQWZARWLMAFJ-UHFFFAOYSA-NBDBM50035432(3-{3-Butyl-4-[2''-(2-chloro-benzoylsulfamoyl)-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-4-chloro-phenyl)-carbamic acid propyl ester5-n-Butyl-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-2-[2-chloro-5-[(propoxycarbonyl)amino]phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Database identifiers
- PubChem CID
- 10010207
- ChEMBL
CHEMBL139041
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,310
Related reactions
2 records
Linked notes
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