Chemical ID: 6265460

Cn1c2ccc(cc2sc1=NC(=O)C=Cc3ccc(cc3)[N+](=O)[O-])S(=O)(=O)C
Chemical ID:
6265460
Name [?]:
N-(3-methyl-6-methylsulfonyl-benzothiazol-2-ylidene)-3-(4-nitrophenyl)-prop-2-enamide
SMILES [?]:
Cn1c2ccc(cc2sc1=NC(=O)C=Cc3ccc(cc3)[N+](=O)[O-])S(=O)(=O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H15N3O5S2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:5.9718
Area:603.385
Solvation:-9.11281
Coulombic:-37.669
Bond Count [?]
All:30
Single:18
Double:12
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:417.461
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.41
LogP (Chemaxon):3.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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