Chemical ID: 6279899

CCOC(=O)Cn1c2ccc(cc2sc1=NC(=O)c3ccc4c(c3)scn4)[N+](=O)[O-]
Chemical ID:
6279899
Name [?]:
ethyl 2-(2-benzothiazol-6-ylcarbonylimino-6-nitro-benzothiazol-3-yl)acetate
SMILES [?]:
CCOC(=O)Cn1c2ccc(cc2sc1=NC(=O)c3ccc4c(c3)scn4)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H14N4O5S2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:6.18341
Area:624.394
Solvation:-9.42643
Coulombic:-57.4765
Bond Count [?]
All:33
Single:22
Double:11
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:442.47
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.66
LogP (Chemaxon):4.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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