Chemical ID: 6277168

Cc1ccc2c(c1)sc(=NC(=O)C=Cc3cccc(c3)[N+](=O)[O-])n2CC(=O)OC
Chemical ID:
6277168
Name [?]:
methyl 2-[6-methyl-2-[3-(3-nitrophenyl)prop-2-enoylimino]benzothiazol-3-yl]acetate
SMILES [?]:
Cc1ccc2c(c1)sc(=NC(=O)C=Cc3cccc(c3)[N+](=O)[O-])n2CC(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17N3O5S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:7.05486
Area:622.404
Solvation:-8.50525
Coulombic:-55.1454
Bond Count [?]
All:31
Single:20
Double:11
Rotors:7
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:411.432
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.03
LogP (Chemaxon):5.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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