Chemical ID: 7678005

Cc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc(cc4)OC(F)(F)F)nn2
Chemical ID:
7678005
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc(cc4)OC(F)(F)F)nn2
InChi [?]:
InChI=1/C20H15F3N6O3/c1-12-2-6-14(7-3-12)29-18-17(26-27-29)19(31)28(11-24-18)10-16(30)25-13-4-8-15(9-5-13)32-20(21,22)23/h2-9,11H,10H2,1H3,(H,25,30)
InChi Info:
AuxInfo=1/1/N:1,3,7,21,25,4,6,22,24,16,14,2,20,5,23,17,10,9,11,27,28,29,30,15,19,31,32,13,8,18,12,26/E:(2,3)(4,5)(6,7)(8,9)(21,22,23)/rA:32nCCCCCCCNCCCONCNCCONCCCCCCOCFFFNN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;s26;s27;s27;s27;s10;s8d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15F3N6O3
All Atoms:47
Heavy Atoms:32
Chiral Atoms:None
ZAP Information [?]
Total:11.3009
Area:625.525
Solvation:-4.33719
Coulombic:-80.0037
Bond Count [?]
All:35
Single:24
Double:11
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.81
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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