Chemical ID: 6279251

CCOC(=O)Cn1c2ccccc2sc1=NC(=O)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
6279251
Name [?]:
ethyl 2-[2-(3-nitrobenzoyl)iminobenzothiazol-3-yl]acetate
SMILES [?]:
CCOC(=O)Cn1c2ccccc2sc1=NC(=O)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H15N3O5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:4.8214
Area:564.646
Solvation:-9.29474
Coulombic:-53.3716
Bond Count [?]
All:29
Single:19
Double:10
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:385.395
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.74
LogP (Chemaxon):4.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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