Chemical ID: 7668624

c1ccc2c(c1)nc(s2)N3CCN(CC3)c4nc5ccc(cc5s4)F
Chemical ID:
7668624
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc(s2)N3CCN(CC3)c4nc5ccc(cc5s4)F
InChi [?]:
InChI=1/C18H15FN4S2/c19-12-5-6-14-16(11-12)25-18(21-14)23-9-7-22(8-10-23)17-20-13-3-1-2-4-15(13)24-17/h1-6,11H,7-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,20,19,11,15,12,14,22,21,5,18,4,23,8,16,25,7,17,10,13,9,24/E:(7,8)(9,10)/rA:25nCCCCCCNCSNCCNCCCNCCCCCCSF/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;s10s14;s13;d16;s17;s18;d19;s20;d21;d18s22;s16s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15FN4S2
All Atoms:40
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:10.5896
Area:544.896
Solvation:-3.03281
Coulombic:-31.2145
Bond Count [?]
All:29
Single:21
Double:8
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.02
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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