Chemical ID: 7689967

Cc1c2c([nH]n1)OC(=C(C2c3cc(c(c(c3)Br)OCc4ccccc4F)OC)C#N)N
Chemical ID:
7689967
Name [?]:
None
SMILES [?]:
Cc1c2c([nH]n1)OC(=C(C2c3cc(c(c(c3)Br)OCc4ccccc4F)OC)C#N)N
InChi [?]:
InChI=1/C22H18BrFN4O3/c1-11-18-19(14(9-25)21(26)31-22(18)28-27-11)13-7-15(23)20(17(8-13)29-2)30-10-12-5-3-4-6-16(12)24/h3-8,19H,10,26H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,28,22,23,21,24,16,12,29,19,2,20,11,9,15,25,13,3,10,14,8,4,17,26,30,31,6,5,27,18,7/rA:31cCCCCNNOCCCCCCCCCBrOCCCCCCCFOCCNN/rB:s1;s2;d3;s4;d2s5;s4;s7;d8;s3s9;s10;s11;d12;s13;d14;d11s15;s15;s14;s18;s19;s20;d21;s22;d23;d20s24;s25;s13;s27;s9;t29;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18BrFN4O3
All Atoms:49
Heavy Atoms:31
Chiral Atoms:None
ZAP Information [?]
Total:9.31908
Area:625.377
Solvation:-6.31535
Coulombic:-56.1071
Bond Count [?]
All:34
Single:24
Double:9
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.85
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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