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Chemical ID: 7678053
Chemical ID:
7678053
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)NCc4ccc(cc4)F)nn2
InChi [?]:
InChI=1/C20H17FN6O2/c1-13-2-8-16(9-3-13)27-19-18(24-25-27)20(29)26(12-23-19)11-17(28)22-10-14-4-6-15(21)7-5-14/h2-9,12H,10-11H2,1H3,(H,22,28)
InChi Info:
AuxInfo=1/1/N:1,3,7,22,26,23,25,4,6,20,16,14,2,21,24,5,17,10,9,11,27,19,15,28,29,13,8,18,12/E:(2,3)(4,5)(6,7)(8,9)/rA:29nCCCCCCCNCCCONCNCCONCCCCCCCFNN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s24;s10;s8d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17FN6O2 |
All Atoms: | 46 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6075 |
Area: | 612.21 |
Solvation: | -4.69774 |
Coulombic: | -53.0858 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.95 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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