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Chemical ID: 7142325
Chemical ID:
7142325
Name [?]:
5-[(4-dimethylaminophenyl)methylene]-3-(4-ethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)N(C)C)SC2=S
InChi [?]:
InChI=1/C20H20N2OS2/c1-4-14-5-11-17(12-6-14)22-19(23)18(25-20(22)24)13-15-7-9-16(10-8-15)21(2)3/h5-13H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,22,2,4,8,15,19,16,18,5,7,13,3,14,17,6,12,10,24,20,9,11,25,23/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:25nCCCCCCCCNCOCCCCCCCCNCCSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;s12;s9s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2OS2 |
All Atoms: | 45 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.5027 |
Area: | 584.372 |
Solvation: | -2.10656 |
Coulombic: | -26.7687 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.5 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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