Chemical ID: 7142380

Cc1ccc(cc1N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)O
Chemical ID:
7142380
Name [?]:
3-(5-cinnamylidene-4-oxo-2-thioxo-thiazolidin-3-yl)-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)O
InChi [?]:
InChI=1/C20H15NO3S2/c1-13-10-11-15(19(23)24)12-16(13)21-18(22)17(26-20(21)25)9-5-8-14-6-3-2-4-7-14/h2-12H,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,13,16,20,14,12,3,4,6,2,15,5,7,11,9,24,22,8,10,25,26,23,21/E:(3,4)(6,7)(23,24)/rA:26nCCCCCCCNCOCCCCCCCCCCSCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;w13;s14;s15;d16;s17;d18;d15s19;s11;s8s21;d22;s5;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15NO3S2
All Atoms:41
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:12.4562
Area:601.517
Solvation:-2.58171
Coulombic:-48.7034
Bond Count [?]
All:28
Single:17
Double:11
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.72
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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