Chemical ID: 5304325

c1cc(cc(c1)F)C=C2C(=O)NC(=Nc3ccc(cc3C(F)(F)F)Cl)S2
Chemical ID:
5304325
Name [?]:
2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(3-fluorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(cc(c1)F)C=C2C(=O)NC(=Nc3ccc(cc3C(F)(F)F)Cl)S2
InChi [?]:
InChI=1/C17H9ClF4N2OS/c18-10-4-5-13(12(8-10)17(20,21)22)23-16-24-15(25)14(26-16)7-9-2-1-3-11(19)6-9/h1-8H,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,16,4,8,19,3,18,5,20,15,9,10,13,21,25,7,22,23,24,14,12,11,26/E:(20,21,22)/rA:26nCCCCCCFCCCONCNCCCCCCCFFFClS/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s21;s21;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H9ClF4N2OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.89613
Area:544.597
Solvation:-3.7188
Coulombic:-50.8746
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:400.779
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.8
LogP (Chemaxon):5.89

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue