Chemical ID: 6118440

CC(=C1C(=NN(C1=O)c2nc3ccccc3s2)C(F)(F)F)N4CCCCC4
Chemical ID:
6118440
Name [?]:
2-benzothiazol-2-yl-4-[1-(1-piperidyl)ethylidene]-5-(trifluoromethyl)pyrazol-3-one
SMILES [?]:
CC(=C1C(=NN(C1=O)c2nc3ccccc3s2)C(F)(F)F)N4CCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H17F3N4OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.084
Area:546.405
Solvation:-2.57615
Coulombic:-47.8509
Bond Count [?]
All:30
Single:23
Double:7
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:394.415
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.05
LogP (Chemaxon):4.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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