Chemical ID: 7140167

Cc1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)OC)S2)C
Chemical ID:
7140167
Name [?]:
5-[(3,4-dimethoxyphenyl)methylene]-2-(2,5-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)OC)S2)C
InChi [?]:
InChI=1/C20H20N2O3S/c1-12-5-6-13(2)15(9-12)21-20-22-19(23)18(26-20)11-14-7-8-16(24-3)17(10-14)25-4/h5-11H,1-4H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,24,22,3,4,16,17,7,20,14,2,5,15,6,18,19,13,11,9,8,10,12,23,21,25/rA:26nCCCCCCCNCNCOCCCCCCCCOCOCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s9s13;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3S
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.94448
Area:573.206
Solvation:-5.38567
Coulombic:-42.858
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:3.32
LogP (Chemaxon):4.78

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Descriptor Annotations

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