Chemical ID: 6198788

c1cc(ccc1N=C2NC(=O)C(=C3c4cc(ccc4NC3=O)F)S2)Br
Chemical ID:
6198788
Name [?]:
3-[2-(4-bromophenyl)imino-4-oxo-thiazolidin-5-ylidene]-5-fluoro-indolin-2-one
SMILES [?]:
c1cc(ccc1N=C2NC(=O)C(=C3c4cc(ccc4NC3=O)F)S2)Br
InChi [?]:
InChI=1/C17H9BrFN3O2S/c18-8-1-4-10(5-2-8)20-17-22-16(24)14(25-17)13-11-7-9(19)3-6-12(11)21-15(13)23/h1-7H,(H,21,23)(H,20,22,24)
InChi Info:
AuxInfo=1/1/N:2,4,17,1,5,18,15,3,16,6,14,19,13,12,21,10,8,25,23,7,20,9,22,11,24/E:(1,2)(4,5)/rA:25nCCCCCCNCNCOCCCCCCCCNCOFSBr/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s13s20;d21;s16;s8s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H9BrFN3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.87718
Area:532.475
Solvation:-3.43469
Coulombic:-51.9135
Bond Count [?]
All:28
Single:18
Double:10
Rotors:1
Chiral:2
Rigid Segments:2
Chemical Properties
Molecular Weight:418.241
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.92
LogP (Chemaxon):4.16

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