Basic information
- CAS
383146-35-8- Standard SMILES
Cc1ccc2c(c1)C(=O)C(NC(=O)c1ccc(Cl)cc1Cl)CS2- InChIKey
QNTMLXWHGAISJV-UHFFFAOYSA-N- Molecular formula
- C17H13Cl2NO2S
- Average molar mass
- 366.3 g/mol
Names & identifiers
- Preferred name
- 2,4-dichloro-N-(6-methyl-4-oxo-3,4-dihydro-2H-thiochromen-3-yl)benzenecarboxamide
- IUPAC
- 2,4-dichloro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide
- English name
- 2,4-Dichloro-N-(6-methyl-4-oxo-3,4-dihydro-2H-thiochromen-3-yl)benzenecarboxamide
- Molecular formula
- C17H13Cl2NO2S
- Molecular weight
- 366.26
Names & synonyms
383146-35-82,4-dichloro-N-(6-methyl-4-oxo-3,4-dihydro-2H-thiochromen-3-yl)benzenecarboxamide2,4-dichloro-N-(6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-3-yl)benzamideMFCD030119372,4-dichloro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamideSMR000126102Bionet1_004679Oprea1_788422MLS000541244CHEMBL1581602HMS582F21HMS2332M16
Show more names
Benzamide, 2,4-dichloro-N-(3,4-dihydro-6-methyl-4-oxo-2H-1-benzothiopyran-3-yl)-
AKOS0051045949R-11512,4-dichloro-N-(6-methyl-4-oxo-thiochroman-3-yl)benzamide2,4-Dichloro-N-(6-methyl-4-oxothiochroman-3-yl)benzamide
Database identifiers
- CAS
383146-35-8- ChEMBL
CHEMBL1581602
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 476
Physicochemical properties
- Boiling point
- 557.7 · 557.7±50.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 11.34 · 11.34±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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