Chemical ID: 5827276

CCc1ccccc1N2C(=O)C(=Cc3ccc(cc3OC)OC)SC2=S
Chemical ID:
5827276
Name [?]:
5-[(2,4-dimethoxyphenyl)methylene]-3-(2-ethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCc1ccccc1N2C(=O)C(=Cc3ccc(cc3OC)OC)SC2=S
InChi [?]:
InChI=1/C20H19NO3S2/c1-4-13-7-5-6-8-16(13)21-19(22)18(26-20(21)25)11-14-9-10-15(23-2)12-17(14)24-3/h5-12H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,21,2,5,6,4,7,15,16,13,18,3,14,17,8,19,12,10,25,9,11,22,20,26,24/rA:26nCCCCCCCCNCOCCCCCCCCOCOCSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s17;s22;s12;s9s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO3S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.4449
Area:565.985
Solvation:-3.7047
Coulombic:-34.6722
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:385.502
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.91
LogP (Chemaxon):4.85

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Descriptor Annotations

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