Chemical ID: 4836152

Cc1ccc(cc1C)N=C2NC(=O)C(=Cc3ccc(cc3OC)OC)S2
Chemical ID:
4836152
Name [?]:
5-[(2,4-dimethoxyphenyl)methylene]-2-(3,4-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1C)N=C2NC(=O)C(=Cc3ccc(cc3OC)OC)S2
InChi [?]:
InChI=1/C20H20N2O3S/c1-12-5-7-15(9-13(12)2)21-20-22-19(23)18(26-20)10-14-6-8-16(24-3)11-17(14)25-4/h5-11H,1-4H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,25,23,3,17,4,18,6,15,20,2,7,16,5,19,21,14,12,10,9,11,13,24,22,26/rA:26nCCCCCCCCNCNCOCCCCCCCCOCOCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s19;s24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.5571
Area:581.072
Solvation:-3.9697
Coulombic:-43.3576
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:368.45
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.8
LogP (Chemaxon):4.78

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