Chemical ID: 7656123

c1ccc(cc1)n2c(nnc2SCc3cccc(c3)C(F)(F)F)CNC(=O)c4cccc(c4)F
Chemical ID:
7656123
Name [?]:
None
SMILES [?]:
c1ccc(cc1)n2c(nnc2SCc3cccc(c3)C(F)(F)F)CNC(=O)c4cccc(c4)F
InChi [?]:
InChI=1/C24H18F4N4OS/c25-19-9-5-7-17(13-19)22(33)29-14-21-30-31-23(32(21)20-10-2-1-3-11-20)34-15-16-6-4-8-18(12-16)24(26,27)28/h1-13H,14-15H2,(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,30,15,29,17,31,3,5,19,33,24,13,14,28,18,32,4,8,26,11,20,34,21,22,23,25,9,10,7,27,12/E:(2,3)(10,11)(26,27,28)/rA:34nCCCCCCNCNNCSCCCCCCCCFFFCNCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s8;s24;s25;d26;s26;s28;d29;s30;d31;d28s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18F4N4OS
All Atoms:52
Heavy Atoms:34
Chiral Atoms:None
ZAP Information [?]
Total:13.2675
Area:700.75
Solvation:-4.25126
Coulombic:-59.1464
Bond Count [?]
All:37
Single:25
Double:12
Rotors:9
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:7.33
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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