Chemical ID: 6276792

CC(=O)Nc1ccc2c(c1)sc(=NC(=O)c3ccccc3I)n2CC#C
Chemical ID:
6276792
Name [?]:
N-(6-acetamido-3-prop-2-ynyl-benzothiazol-2-ylidene)-2-iodo-benzamide
SMILES [?]:
CC(=O)Nc1ccc2c(c1)sc(=NC(=O)c3ccccc3I)n2CC#C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H14IN3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.4417
Area:594.438
Solvation:-3.41924
Coulombic:-45.5297
Bond Count [?]
All:28
Single:18
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:475.304
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.44
LogP (Chemaxon):5.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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