Chemical ID: 6464118

CCOc1ccc2ccccc2c1C=C3C(=O)NC(=Nc4cccc(c4)C(F)(F)F)S3
Chemical ID:
6464118
Name [?]:
5-[(2-ethoxy-1-naphthyl)methylene]-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
SMILES [?]:
CCOc1ccc2ccccc2c1C=C3C(=O)NC(=Nc4cccc(c4)C(F)(F)F)S3
InChi [?]:
InChI=1/C23H17F3N2O2S/c1-2-30-19-11-10-14-6-3-4-9-17(14)18(19)13-20-21(29)28-22(31-20)27-16-8-5-7-15(12-16)23(24,25)26/h3-13H,2H2,1H3,(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,9,10,23,8,24,22,11,6,5,26,14,7,25,21,12,13,4,15,16,19,27,28,29,30,20,18,17,3,31/E:(24,25,26)/rA:31nCCOCCCCCCCCCCCCCONCNCCCCCCCFFFS/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;d4s12;s13;w14;s15;d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s25;s27;s27;s27;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17F3N2O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.6377
Area:617.936
Solvation:-3.81067
Coulombic:-55.3772
Bond Count [?]
All:34
Single:23
Double:11
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:442.455
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.62
LogP (Chemaxon):6.33

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Descriptor Annotations

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