Chemical ID: 7142404

CC(=O)c1ccc(cc1)N2C(=O)C(=CC(=Cc3ccccc3)Cl)SC2=S
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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