Chemical ID: 4703212

c1cc(ccc1NC(=O)c2ccc(nc2)n3ccnc3)OC(F)(F)F
Chemical ID:
4703212
Name [?]:
6-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]-pyridine-3-carboxamide
SMILES [?]:
c1cc(ccc1NC(=O)c2ccc(nc2)n3ccnc3)OC(F)(F)F
InChi [?]:
InChI=1/C16H11F3N4O2/c17-16(18,19)25-13-4-2-12(3-5-13)22-15(24)11-1-6-14(21-9-11)23-8-7-20-10-23/h1-10H,(H,22,24)
InChi Info:
AuxInfo=1/1/N:11,1,5,2,4,12,18,17,15,20,10,6,3,13,8,22,23,24,25,19,14,7,16,9,21/E:(2,3)(4,5)(17,18,19)/rA:25nCCCCCCNCOCCCCNCNCCNCOCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;d17;s18;s16d19;s3;s21;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11F3N4O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.18989
Area:516.776
Solvation:-3.72953
Coulombic:-67.4787
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:348.28
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.45
LogP (Chemaxon):2.51

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Descriptor Annotations

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