Chemical ID: 6273847

CCOC(=O)c1ccc2c(c1)sc(=NC(=O)C=Cc3ccccc3Cl)n2CC=C
Chemical ID:
6273847
Name [?]:
ethyl 3-allyl-2-[3-(2-chlorophenyl)prop-2-enoylimino]benzothiazole-6-carboxylate
SMILES [?]:
CCOC(=O)c1ccc2c(c1)sc(=NC(=O)C=Cc3ccccc3Cl)n2CC=C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H19ClN2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.2997
Area:647.798
Solvation:-2.89524
Coulombic:-46.9863
Bond Count [?]
All:31
Single:20
Double:11
Rotors:8
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:426.917
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.72
LogP (Chemaxon):6.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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