Chemical ID: 6143565

CCOc1ccc(cc1)N2C(=O)C(=Cc3ccccc3C(=O)O)SC2=S
Chemical ID:
6143565
Name [?]:
2-[[3-(4-ethoxyphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid
SMILES [?]:
CCOc1ccc(cc1)N2C(=O)C(=Cc3ccccc3C(=O)O)SC2=S
InChi [?]:
InChI=1/C19H15NO4S2/c1-2-24-14-9-7-13(8-10-14)20-17(21)16(26-19(20)25)11-12-5-3-4-6-15(12)18(22)23/h3-11H,2H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,16,19,6,8,5,9,14,15,7,4,20,13,11,21,25,10,12,22,23,3,26,24/E:(7,8)(9,10)(22,23)/rA:26nCCOCCCCCCNCOCCCCCCCCCOOSCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;s13;s10s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15NO4S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.9568
Area:578.136
Solvation:-3.49662
Coulombic:-54.5717
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:385.459
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.35
LogP (Chemaxon):4.09

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