Chemical ID: 6267204

CCn1c2c(cccc2sc1=NC(=O)C=Cc3ccc(cc3)[N+](=O)[O-])OCC
Chemical ID:
6267204
Name [?]:
N-(4-ethoxy-3-ethyl-benzothiazol-2-ylidene)-3-(4-nitrophenyl)-prop-2-enamide
SMILES [?]:
CCn1c2c(cccc2sc1=NC(=O)C=Cc3ccc(cc3)[N+](=O)[O-])OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19N3O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:6.67453
Area:581.68
Solvation:-7.86748
Coulombic:-44.9109
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:397.449
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.65
LogP (Chemaxon):5.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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