Chemical ID: 6270903

COCCn1c2ccc(cc2sc1=NC(=O)c3cc(ccc3[N+](=O)[O-])Cl)Br
Chemical ID:
6270903
Name [?]:
N-[6-bromo-3-(2-methoxyethyl)benzothiazol-2-ylidene]-5-chloro-2-nitro-benzamide
SMILES [?]:
COCCn1c2ccc(cc2sc1=NC(=O)c3cc(ccc3[N+](=O)[O-])Cl)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H13BrClN3O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:5.08426
Area:589.772
Solvation:-9.66005
Coulombic:-40.3814
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:470.726
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.85
LogP (Chemaxon):5.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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