Chemical ID: 7678403

c1cc(ccc1n2c3c(c(=O)n(cn3)CC(=O)NC4CCCCC4)nn2)F
Chemical ID:
7678403
Name [?]:
None
SMILES [?]:
c1cc(ccc1n2c3c(c(=O)n(cn3)CC(=O)NC4CCCCC4)nn2)F
InChi [?]:
InChI=1/C18H19FN6O2/c19-12-6-8-14(9-7-12)25-17-16(22-23-25)18(27)24(11-20-17)10-15(26)21-13-4-2-1-3-5-13/h6-9,11,13H,1-5,10H2,(H,21,26)
InChi Info:
AuxInfo=1/1/N:22,21,23,20,24,2,4,1,5,15,13,3,19,6,16,9,8,10,27,14,18,25,26,12,7,17,11/E:(2,3)(4,5)(6,7)(8,9)/rA:27nCCCCCCNCCCONCNCCONCCCCCCNNF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s10;s12;s8d13;s12;s15;d16;s16;s18;s19;s20;s21;s22;s19s23;s9;s7d25;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19FN6O2
All Atoms:46
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:9.74692
Area:566.298
Solvation:-4.41053
Coulombic:-52.0632
Bond Count [?]
All:30
Single:22
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.63
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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