Chemical ID: 7678399

c1cc(ccc1n2c3c(c(=O)n(cn3)CC(=O)NC4CCCC4)nn2)F
Chemical ID:
7678399
Name [?]:
None
SMILES [?]:
c1cc(ccc1n2c3c(c(=O)n(cn3)CC(=O)NC4CCCC4)nn2)F
InChi [?]:
InChI=1/C17H17FN6O2/c18-11-5-7-13(8-6-11)24-16-15(21-22-24)17(26)23(10-19-16)9-14(25)20-12-3-1-2-4-12/h5-8,10,12H,1-4,9H2,(H,20,25)
InChi Info:
AuxInfo=1/1/N:21,22,20,23,2,4,1,5,15,13,3,19,6,16,9,8,10,26,14,18,24,25,12,7,17,11/E:(1,2)(3,4)(5,6)(7,8)/rA:26nCCCCCCNCCCONCNCCONCCCCCNNF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s10;s12;s8d13;s12;s15;d16;s16;s18;s19;s20;s21;s19s22;s9;s7d24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17FN6O2
All Atoms:43
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:9.3518
Area:550.661
Solvation:-4.41472
Coulombic:-51.7357
Bond Count [?]
All:29
Single:21
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.06
LogP (Chemaxon):None

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Descriptor Annotations

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