Chemical ID: 7141572

CC(=O)c1cccc(c1)N2C(=O)C(=Cc3cccc(c3OC)OC)SC2=S
Chemical ID:
7141572
Name [?]:
3-(3-acetylphenyl)-5-[(2,3-dimethoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CC(=O)c1cccc(c1)N2C(=O)C(=Cc3cccc(c3OC)OC)SC2=S
InChi [?]:
InChI=1/C20H17NO4S2/c1-12(22)13-6-4-8-15(10-13)21-19(23)17(27-20(21)26)11-14-7-5-9-16(24-2)18(14)25-3/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,22,6,17,5,16,7,18,9,14,2,4,15,8,19,13,20,11,26,10,3,12,23,21,27,25/rA:27nCCOCCCCCCNCOCCCCCCCCOCOCSCS/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s19;s23;s13;s10s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17NO4S2
All Atoms:44
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:9.53516
Area:603.217
Solvation:-5.54526
Coulombic:-41.1507
Bond Count [?]
All:29
Single:19
Double:10
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.79
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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