2-(p-Trichloromethylbenzoylmethylene)-3-ethyl-benzothiazoline

HCID 54530809
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Basic information

Standard SMILES
CCN1C(=CC(=O)c2ccc(C(Cl)(Cl)Cl)cc2)Sc2ccccc21
InChIKey
YWJRISYRZGKKTJ-UHFFFAOYSA-N
Molecular formula
C18H14Cl3NOS
Average molar mass
398.7 g/mol

Names & identifiers

Preferred name
2-(p-Trichloromethylbenzoylmethylene)-3-ethyl-benzothiazoline
IUPAC
2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-[4-(trichloromethyl)phenyl]ethanone

Names & synonyms

SCHEMBL8955594YWJRISYRZGKKTJ-UHFFFAOYSA-N2-(p-trichloromethylbenzoylmethylene)-3-ethyl-benzothiazoline

Database identifiers

PubChem CID
54530809

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
45.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
24

Related reactions

1 records
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Compound notes

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