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Chemical ID: 7141599
Chemical ID:
7141599
Name [?]:
5-[(2,5-dimethoxyphenyl)methylene]-3-(2,5-dimethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N2C(=O)C(=Cc3cc(ccc3OC)OC)SC2=S)C
InChi [?]:
InChI=1/C20H19NO3S2/c1-12-5-6-13(2)16(9-12)21-19(22)18(26-20(21)25)11-14-10-15(23-3)7-8-17(14)24-4/h5-11H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,22,20,3,4,16,17,7,14,12,2,5,13,15,6,18,11,9,24,8,10,21,19,25,23/rA:26nCCCCCCCNCOCCCCCCCCOCOCSCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s15;s21;s11;s8s23;d24;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO3S2 |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.454 |
Area: | 584.046 |
Solvation: | -4.14712 |
Coulombic: | -33.5667 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.89 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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