Chemical ID: 7141583

CC(=O)c1cccc(c1)N2C(=O)C(=Cc3ccc(cc3OC)OC)SC2=S
Chemical ID:
7141583
Name [?]:
3-(3-acetylphenyl)-5-[(2,4-dimethoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CC(=O)c1cccc(c1)N2C(=O)C(=Cc3ccc(cc3OC)OC)SC2=S
InChi [?]:
InChI=1/C20H17NO4S2/c1-12(22)13-5-4-6-15(9-13)21-19(23)18(27-20(21)26)10-14-7-8-16(24-2)11-17(14)25-3/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,22,6,5,7,16,17,9,14,19,2,4,15,8,18,20,13,11,26,10,3,12,23,21,27,25/rA:27nCCOCCCCCCNCOCCCCCCCCOCOCSCS/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s18;s23;s13;s10s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17NO4S2
All Atoms:44
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:10.0702
Area:603.042
Solvation:-5.00583
Coulombic:-40.6253
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:3.06
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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