Chemical ID: 7141657

Cc1ccc(c(c1)N2C(=O)C(=Cc3ccccc3OCC=C)SC2=S)C
Chemical ID:
7141657
Name [?]:
5-[(2-allyloxyphenyl)methylene]-3-(2,5-dimethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N2C(=O)C(=Cc3ccccc3OCC=C)SC2=S)C
InChi [?]:
InChI=1/C21H19NO2S2/c1-4-11-24-18-8-6-5-7-16(18)13-19-20(23)22(21(25)26-19)17-12-14(2)9-10-15(17)3/h4-10,12-13H,1,11H2,2-3H3
InChi Info:
AuxInfo=1/0/N:22,1,26,21,15,16,14,17,3,4,20,7,12,2,5,13,6,18,11,9,24,8,10,19,25,23/rA:26nCCCCCCCNCOCCCCCCCCOCCCSCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s20;d21;s11;s8s23;d24;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19NO2S2
All Atoms:45
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:12.2046
Area:597.534
Solvation:-2.73378
Coulombic:-29.6702
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.59
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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