Chemical ID: 4873882

c1ccc2c(c1)nc(c(n2)N3CCN(CC3)c4cccc(c4)C(F)(F)F)C(C#N)C(=O)OC5CCCCC5
Chemical ID:
4873882
Name [?]:
cyclohexyl 3-nitrido-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]-propanoate
SMILES [?]:
c1ccc2c(c1)nc(c(n2)N3CCN(CC3)c4cccc(c4)C(F)(F)F)C(C#N)C(=O)OC5CCCCC5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H28F3N5O2
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:14.435
Area:747.914
Solvation:-4.26284
Coulombic:-66.4559
Bond Count [?]
All:42
Single:32
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:523.55
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.81
LogP (Chemaxon):6.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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