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Chemical ID: 7142128
Chemical ID:
7142128
Name [?]:
3-(4-butylphenyl)-5-[(3-fluorophenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCCCc1ccc(cc1)N2C(=O)C(=Cc3cccc(c3)F)SC2=S
InChi [?]:
InChI=1/C20H18FNOS2/c1-2-3-5-14-8-10-17(11-9-14)22-19(23)18(25-20(22)24)13-15-6-4-7-16(21)12-15/h4,6-13H,2-3,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,18,4,17,19,6,10,7,9,21,15,5,16,20,8,14,12,24,22,11,13,25,23/E:(8,9)(10,11)/rA:25nCCCCCCCCCCNCOCCCCCCCCFSCS/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s14;s11s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18FNOS2 |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.1401 |
Area: | 581.373 |
Solvation: | -2.39426 |
Coulombic: | -25.1668 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.59 |
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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