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Chemical ID: 7141657
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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