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Chemical ID: 7142404
Chemical ID:
7142404
Name [?]:
3-(4-acetylphenyl)-5-(2-chloro-3-phenyl-prop-2-enylidene)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CC(=O)c1ccc(cc1)N2C(=O)C(=CC(=Cc3ccccc3)Cl)SC2=S
InChi [?]:
InChI=1/C20H14ClNO2S2/c1-13(23)15-7-9-17(10-8-15)22-19(24)18(26-20(22)25)12-16(21)11-14-5-3-2-4-6-14/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,18,22,5,9,6,8,16,14,2,17,4,15,7,13,11,25,23,10,3,12,26,24/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCOCCCCCCNCOCCCCCCCCCCClSCS/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;w15;s16;s17;d18;s19;d20;d17s21;s15;s13;s10s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14ClNO2S2 |
All Atoms: | 40 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.8219 |
Area: | 594.438 |
Solvation: | -3.03909 |
Coulombic: | -28.2271 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.05 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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