Basic information
- Standard SMILES
COC(=O)NS(=O)(=O)c1ccc(NC(=O)C(CCO)N2CCCc3cc(Cl)ccc32)cc1- InChIKey
PXHNSBAOVBYSLA-UHFFFAOYSA-N- Molecular formula
- C21H24ClN3O6S
- Average molar mass
- 481.9 g/mol
Names & identifiers
- Preferred name
- methyl N-[4-[[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxybutanoyl]amino]phenyl]sulfonylcarbamate
- IUPAC
- methyl N-[4-[[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxybutanoyl]amino]phenyl]sulfonylcarbamate
Names & synonyms
SCHEMBL4881372
Database identifiers
- PubChem CID
- 69227490
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 753
Related reactions
1 records
Compound notes
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