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Chemical ID: 6464118
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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