Chemical ID: 7141569

CCc1ccc(cc1)N2C(=O)C(=Cc3cccc(c3OC)OC)SC2=S
Chemical ID:
7141569
Name [?]:
5-[(2,3-dimethoxyphenyl)methylene]-3-(4-ethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N2C(=O)C(=Cc3cccc(c3OC)OC)SC2=S
InChi [?]:
InChI=1/C20H19NO3S2/c1-4-13-8-10-15(11-9-13)21-19(22)17(26-20(21)25)12-14-6-5-7-16(23-2)18(14)24-3/h5-12H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,21,2,16,15,17,4,8,5,7,13,3,14,6,18,12,19,10,25,9,11,22,20,26,24/E:(8,9)(10,11)/rA:26nCCCCCCCCNCOCCCCCCCCOCOCSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s18;s22;s12;s9s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO3S2
All Atoms:45
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:10.4434
Area:592.415
Solvation:-4.367
Coulombic:-34.9821
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.86
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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