Chemical ID: 7668475

c1ccc2c(c1)nc(s2)N3CCN(CC3)c4nc5c(cccc5s4)F
Chemical ID:
7668475
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc(s2)N3CCN(CC3)c4nc5c(cccc5s4)F
InChi [?]:
InChI=1/C18H15FN4S2/c19-12-4-3-7-15-16(12)21-18(25-15)23-10-8-22(9-11-23)17-20-13-5-1-2-6-14(13)24-17/h1-7H,8-11H2
InChi Info:
AuxInfo=1/0/N:1,2,21,20,6,3,22,11,15,12,14,19,5,4,23,18,8,16,25,7,17,10,13,9,24/E:(8,9)(10,11)/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;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15FN4S2
All Atoms:40
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:10.5398
Area:544.36
Solvation:-3.06916
Coulombic:-32.1299
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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