Chemical ID: 7693664

c1cc(ccc1c2nnc3n2nc(cc3)SCC(=O)N4CCCC4)F
Chemical ID:
7693664
Name [?]:
None
SMILES [?]:
c1cc(ccc1c2nnc3n2nc(cc3)SCC(=O)N4CCCC4)F
InChi [?]:
InChI=1/C17H16FN5OS/c18-13-5-3-12(4-6-13)17-20-19-14-7-8-15(21-23(14)17)25-11-16(24)22-9-1-2-10-22/h3-8H,1-2,9-11H2
InChi Info:
AuxInfo=1/0/N:22,23,1,5,2,4,15,14,21,24,17,6,3,10,13,18,7,25,9,8,12,20,11,19,16/E:(1,2)(3,4)(5,6)(9,10)/rA:25nCCCCCCCNNCNNCCCSCCONCCCCF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s11;d12;s13;s10d14;s13;s16;s17;d18;s18;s20;s21;s22;s20s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16FN5OS
All Atoms:41
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:9.31748
Area:527.638
Solvation:-3.87348
Coulombic:-31.046
Bond Count [?]
All:28
Single:20
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.57
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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