Chemical ID: 7142594

CCc1ccccc1N2C(=O)C(=C3c4cc(ccc4NC3=O)F)SC2=S
Chemical ID:
7142594
Name [?]:
3-[3-(2-ethylphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-5-fluoro-indolin-2-one
SMILES [?]:
CCc1ccccc1N2C(=O)C(=C3c4cc(ccc4NC3=O)F)SC2=S
InChi [?]:
InChI=1/C19H13FN2O2S2/c1-2-10-5-3-4-6-14(10)22-18(24)16(26-19(22)25)15-12-9-11(20)7-8-13(12)21-17(15)23/h3-9H,2H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,7,17,18,15,3,16,14,19,8,13,12,21,10,25,23,20,9,22,11,26,24/rA:26nCCCCCCCCNCOCCCCCCCCNCOFSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s13s20;d21;s16;s12;s9s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13FN2O2S2
All Atoms:39
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:10.0922
Area:529.563
Solvation:-3.14687
Coulombic:-43.1809
Bond Count [?]
All:29
Single:19
Double:10
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.11
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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