Chemical ID: 5813233

CCCC(=O)C1=C(CCCC1=O)NCCc2c([nH]c3c2cc(cc3)OC(F)(F)F)C
Chemical ID:
5813233
Name [?]:
2-butanoyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]cyclohex-2-en-1-one
SMILES [?]:
CCCC(=O)C1=C(CCCC1=O)NCCc2c([nH]c3c2cc(cc3)OC(F)(F)F)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H25F3N2O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.2684
Area:625.792
Solvation:-3.37642
Coulombic:-69.1731
Bond Count [?]
All:32
Single:25
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:422.441
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.55
LogP (Chemaxon):4.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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