Chemical ID: 7171939

c1ccc(cc1)n2c3c(cn2)c4nc(nn4cn3)c5ccc(o5)COc6ccc(cc6)F
Chemical ID:
7171939
Name [?]:
None
SMILES [?]:
c1ccc(cc1)n2c3c(cn2)c4nc(nn4cn3)c5ccc(o5)COc6ccc(cc6)F
InChi [?]:
InChI=1/C23H15FN6O2/c24-15-6-8-17(9-7-15)31-13-18-10-11-20(32-18)21-27-23-19-12-26-30(16-4-2-1-3-5-16)22(19)25-14-29(23)28-21/h1-12,14H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,28,30,27,31,21,20,10,24,17,29,4,26,22,9,19,14,8,12,32,18,11,13,15,16,7,25,23/E:(2,3)(4,5)(6,7)(8,9)/rA:32nCCCCCCNCCCNCNCNNCNCCCCOCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s9;d12;s13;d14;s12s15;s16;s8d17;s14;d19;s20;d21;s19s22;s22;s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H15FN6O2
All Atoms:47
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.736
Area:648.006
Solvation:-5.46412
Coulombic:-42.6407
Bond Count [?]
All:37
Single:24
Double:13
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:426.403
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.95
LogP (Chemaxon):4.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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