Chemical ID: 4312782

CC(=C1C(=NN(C1=O)c2nc3ccccc3s2)C(F)(F)F)N4CCN(CC4)c5ccccc5
Chemical ID:
4312782
Name [?]:
2-benzothiazol-2-yl-4-[1-(4-phenylpiperazin-1-yl)ethylidene]-5-(trifluoromethyl)pyrazol-3-one
SMILES [?]:
CC(=C1C(=NN(C1=O)c2nc3ccccc3s2)C(F)(F)F)N4CCN(CC4)c5ccccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H20F3N5OS
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.3354
Area:643.494
Solvation:-3.75198
Coulombic:-54.6654
Bond Count [?]
All:37
Single:27
Double:10
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:471.499
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.0
LogP (Chemaxon):5.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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