Chemical ID: 7142115

CC(=O)c1ccc(cc1)N2C(=O)C(=Cc3ccccc3F)SC2=S
Chemical ID:
7142115
Name [?]:
3-(4-acetylphenyl)-5-[(2-fluorophenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CC(=O)c1ccc(cc1)N2C(=O)C(=Cc3ccccc3F)SC2=S
InChi [?]:
InChI=1/C18H12FNO2S2/c1-11(21)12-6-8-14(9-7-12)20-17(22)16(24-18(20)23)10-13-4-2-3-5-15(13)19/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,16,19,5,9,6,8,14,2,4,15,7,20,13,11,23,21,10,3,12,24,22/E:(6,7)(8,9)/rA:24nCCOCCCCCCNCOCCCCCCCCFSCS/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s13;s10s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12FNO2S2
All Atoms:36
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:9.95079
Area:538.121
Solvation:-3.50223
Coulombic:-31.0222
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.39
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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