Chemical ID: 6271416

COCCn1c2ccc(cc2sc1=NC(=O)C=Cc3ccc(cc3)[N+](=O)[O-])S(=O)(=O)N
Chemical ID:
6271416
Name [?]:
N-[3-(2-methoxyethyl)-6-sulfamoyl-benzothiazol-2-ylidene]-3-(4-nitrophenyl)-prop-2-enamide
SMILES [?]:
COCCn1c2ccc(cc2sc1=NC(=O)C=Cc3ccc(cc3)[N+](=O)[O-])S(=O)(=O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H18N4O6S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:6.27806
Area:624.654
Solvation:-9.3383
Coulombic:-59.7247
Bond Count [?]
All:33
Single:21
Double:12
Rotors:8
Chiral:2
Rigid Segments:8
Chemical Properties
Molecular Weight:462.502
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:2.16
LogP (Chemaxon):3.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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