Chemical ID: 7142600

Cc1ccc(c(c1)N2C(=O)C(=C3c4cc(ccc4NC3=O)F)SC2=S)C
Chemical ID:
7142600
Name [?]:
3-[3-(2,5-dimethylphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-5-fluoro-indolin-2-one
SMILES [?]:
Cc1ccc(c(c1)N2C(=O)C(=C3c4cc(ccc4NC3=O)F)SC2=S)C
InChi [?]:
InChI=1/C19H13FN2O2S2/c1-9-3-4-10(2)14(7-9)22-18(24)16(26-19(22)25)15-12-8-11(20)5-6-13(12)21-17(15)23/h3-8H,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,26,3,4,16,17,7,14,2,5,15,13,18,6,12,11,20,9,24,22,19,8,21,10,25,23/rA:26nCCCCCCCNCOCCCCCCCCNCOFSCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s12s19;d20;s15;s11;s8s23;d24;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13FN2O2S2
All Atoms:39
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:10.3148
Area:539.221
Solvation:-3.16575
Coulombic:-42.5857
Bond Count [?]
All:29
Single:19
Double:10
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.08
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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