Basic information
- Standard SMILES
COC(=O)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1ccc(S(C)(=O)=O)cc1Cl- InChIKey
UMSLMKVTFVQVLJ-UHFFFAOYSA-N- Molecular formula
- C25H21Cl3N2O6S
- Average molar mass
- 583.9 g/mol
- Monoisotopic mass
- 582.018591
Names & identifiers
- Preferred name
- Methyl 2-[(2-chloro-4-methylsulfonylbenzoyl)amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate
- IUPAC
- methyl 2-[(2-chloro-4-methylsulfonylbenzoyl)amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate
Database identifiers
- PubChem CID
- 21999307
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 912
Related reactions
1 records
Compound notes
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