2-(2,4-dichlorophenoxy)-N-(3,4-dihydro-1(2H)-quinolinylcarbothioyl)acetamide
Basic information
- CAS
500201-20-7- Standard SMILES
O=C(COc1ccc(Cl)cc1Cl)NC(=S)N1CCCc2ccccc21- InChIKey
ZNSJAQHBJNKWDG-UHFFFAOYSA-N- Molecular formula
- C18H16Cl2N2O2S
- Average molar mass
- 395.3 g/mol
Names & identifiers
- Preferred name
- 2-(2,4-dichlorophenoxy)-N-(3,4-dihydro-1(2H)-quinolinylcarbothioyl)acetamide
- IUPAC
- 2-(2,4-dichlorophenoxy)-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)acetamide
- English name
- 2-(2,4-dichlorophenoxy)-N-(3,4-dihydro-1(2H)-quinolinylcarbonothioyl)acetamide
- Molecular formula
- C18H16Cl2N2O2S
- Molecular weight
- 395.3
Names & synonyms
2-(2,4-dichlorophenoxy)-N-(3,4-dihydro-1(2H)-quinolinylcarbothioyl)acetamideSMR000160641MLS000537467CHEMBL1579305HMS2484B232-(2,4-dichlorophenoxy)-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)acetamideAKOS0004941872-(2,4-dichlorophenoxy)-N-(3,4-dihydroquinolin-1(2H)-ylcarbonothioyl)acetamide2-(2,4-dichlorophenoxy)-N-(3,4-dihydro-1(2H)-quinolinylcarbonothioyl)acetamideAcetamide, 2-(2,4-dichlorophenoxy)-N-[(3,4-dihydro-1(2H)-quinolinyl)thioxomethyl]-
Database identifiers
- CAS
500201-20-7- ChEMBL
CHEMBL1579305
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 494
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Compound notes
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