Chemical ID: 6279540

CCOC(=O)Cn1c2ccc(cc2sc1=NC(=O)c3ccc(cc3)C(=O)C)Br
Chemical ID:
6279540
Name [?]:
ethyl 2-[2-(4-acetylbenzoyl)imino-6-bromo-benzothiazol-3-yl]acetate
SMILES [?]:
CCOC(=O)Cn1c2ccc(cc2sc1=NC(=O)c3ccc(cc3)C(=O)C)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17BrN2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.8636
Area:611.19
Solvation:-4.41618
Coulombic:-50.1952
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:461.33
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.61
LogP (Chemaxon):4.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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