Chemical ID: 7141744

CCOc1ccc(cc1OC)C=C2C(=O)N(C(=S)S2)c3cccc(c3)C(=O)C
Chemical ID:
7141744
Name [?]:
3-(3-acetylphenyl)-5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1OC)C=C2C(=O)N(C(=S)S2)c3cccc(c3)C(=O)C
InChi [?]:
InChI=1/C21H19NO4S2/c1-4-26-17-9-8-14(10-18(17)25-3)11-19-20(24)22(21(27)28-19)16-7-5-6-15(12-16)13(2)23/h5-12H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,11,2,22,23,21,6,5,8,12,25,26,7,24,20,4,9,13,14,17,16,27,15,10,3,18,19/rA:28nCCOCCCCCCOCCCCONCSSCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;s16;d17;s13s17;s16;s20;d21;s22;d23;d20s24;s24;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19NO4S2
All Atoms:47
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:9.68657
Area:633.838
Solvation:-6.15938
Coulombic:-40.3212
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.22
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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