Chemical ID: 4835330

Cc1cccc(c1C)N2C(=O)C(=Cc3ccc(cc3)OCC=C)SC2=S
Chemical ID:
4835330
Name [?]:
5-[(4-allyloxyphenyl)methylene]-3-(2,3-dimethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1C)N2C(=O)C(=Cc3ccc(cc3)OCC=C)SC2=S
InChi [?]:
InChI=1/C21H19NO2S2/c1-4-12-24-17-10-8-16(9-11-17)13-19-20(23)22(21(25)26-19)18-7-5-6-14(2)15(18)3/h4-11,13H,1,12H2,2-3H3
InChi Info:
AuxInfo=1/0/N:23,1,8,22,4,3,5,15,19,16,18,21,13,2,7,14,17,6,12,10,25,9,11,20,26,24/E:(8,9)(10,11)/rA:26nCCCCCCCCNCOCCCCCCCCOCCCSCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s12;s9s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19NO2S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.6787
Area:590.022
Solvation:-3.07182
Coulombic:-28.9928
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:381.513
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.59
LogP (Chemaxon):5.91

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