Chemical ID: 7141740

CCc1ccccc1N2C(=O)C(=Cc3ccc(c(c3)OC)OCC)SC2=S
Chemical ID:
7141740
Name [?]:
5-[(4-ethoxy-3-methoxy-phenyl)methylene]-3-(2-ethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCc1ccccc1N2C(=O)C(=Cc3ccc(c(c3)OC)OCC)SC2=S
InChi [?]:
InChI=1/C21H21NO3S2/c1-4-15-8-6-7-9-16(15)22-20(23)19(27-21(22)26)13-14-10-11-17(25-5-2)18(12-14)24-3/h6-13H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,21,2,23,5,6,4,7,15,16,19,13,14,3,8,17,18,12,10,26,9,11,20,22,27,25/rA:27nCCCCCCCCNCOCCCCCCCCOCOCCSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s23;s12;s9s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO3S2
All Atoms:48
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:9.98328
Area:600.429
Solvation:-5.02745
Coulombic:-34.2224
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.07
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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