Chemical ID: 7172019

c1c(n(nc1C(F)(F)F)Cc2nc3c4c5c(sc4ncn3n2)CCCC5)C6CC6
Chemical ID:
7172019
Name [?]:
None
SMILES [?]:
c1c(n(nc1C(F)(F)F)Cc2nc3c4c5c(sc4ncn3n2)CCCC5)C6CC6
InChi [?]:
InChI=1/C19H17F3N6S/c20-19(21,22)14-7-12(10-5-6-10)27(25-14)8-15-24-17-16-11-3-1-2-4-13(11)29-18(16)23-9-28(17)26-15/h7,9-10H,1-6,8H2
InChi Info:
AuxInfo=1/0/N:25,24,26,23,28,29,1,10,20,27,15,2,16,5,11,14,13,18,6,7,8,9,19,12,4,22,3,21,17/E:(5,6)(20,21,22)/rA:29nCCNNCCFFFCCNCCCCSCNCNNCCCCCCC/rB:d1;s2;s3;s1d4;s5;s6;s6;s6;s3;s10;s11;d12;s13;s14;d15;s16;d14s17;s18;d19;s13s20;d11s21;s16;s23;s24;s15s25;s2;s27;s27s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17F3N6S
All Atoms:46
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.2759
Area:572.769
Solvation:-3.04336
Coulombic:-41.42
Bond Count [?]
All:34
Single:27
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:418.44
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.58
LogP (Chemaxon):5.03

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Descriptor Annotations

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