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Chemical ID: 7656123
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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