Chemical ID: 7141600

Cc1ccc(cc1N2C(=O)C(=Cc3cc(ccc3OC)OC)SC2=S)C(=O)O
Chemical ID:
7141600
Name [?]:
3-[5-[(2,5-dimethoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1N2C(=O)C(=Cc3cc(ccc3OC)OC)SC2=S)C(=O)O
InChi [?]:
InChI=1/C20H17NO5S2/c1-11-4-5-12(19(23)24)9-15(11)21-18(22)17(28-20(21)27)10-13-8-14(25-2)6-7-16(13)26-3/h4-10H,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,22,20,3,4,16,17,14,6,12,2,5,13,15,7,18,11,9,26,24,8,10,27,28,21,19,25,23/E:(23,24)/rA:28nCCCCCCCNCOCCCCCCCCOCOCSCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s15;s21;s11;s8s23;d24;s5;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17NO5S2
All Atoms:45
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:10.3487
Area:613.739
Solvation:-4.99478
Coulombic:-60.2653
Bond Count [?]
All:30
Single:20
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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