Chemical ID: 7141585

Cc1ccc(c(c1)N2C(=O)C(=Cc3ccc(cc3OC)OC)SC2=S)C
Chemical ID:
7141585
Name [?]:
5-[(2,4-dimethoxyphenyl)methylene]-3-(2,5-dimethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N2C(=O)C(=Cc3ccc(cc3OC)OC)SC2=S)C
InChi [?]:
InChI=1/C20H19NO3S2/c1-12-5-6-13(2)16(9-12)21-19(22)18(26-20(21)25)10-14-7-8-15(23-3)11-17(14)24-4/h5-11H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,22,20,3,4,14,15,7,12,17,2,5,13,16,6,18,11,9,24,8,10,21,19,25,23/rA:26nCCCCCCCNCOCCCCCCCCOCOCSCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;s21;s11;s8s23;d24;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO3S2
All Atoms:45
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:10.727
Area:585.05
Solvation:-3.8993
Coulombic:-33.9428
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.89
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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