Chemical ID: 5022876

CC[n+]1c2ccc(cc2sc1C=Cc3ccc(cc3)N(C)C)NC(=O)C
Chemical ID:
5022876
Name [?]:
N-[2-[2-(4-dimethylaminophenyl)vinyl]-3-ethyl-benzothiazol-6-yl]acetamide
SMILES [?]:
CC[n+]1c2ccc(cc2sc1C=Cc3ccc(cc3)N(C)C)NC(=O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H24N3OS+
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-12.7292
Area:573.378
Solvation:-27.0637
Coulombic:-9.34891
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:366.501
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.63
LogP (Chemaxon):0.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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