Chemical ID: 7217041

CC(C)(C)C1CCc2c(sc3c2c4nc(nn4cn3)c5ccn(n5)C(F)F)C1
Chemical ID:
7217041
Name [?]:
None
SMILES [?]:
CC(C)(C)C1CCc2c(sc3c2c4nc(nn4cn3)c5ccn(n5)C(F)F)C1
InChi [?]:
InChI=1/C19H20F2N6S/c1-19(2,3)10-4-5-11-13(8-10)28-17-14(11)16-23-15(25-27(16)9-22-17)12-6-7-26(24-12)18(20)21/h6-7,9-10,18H,4-5,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,6,7,21,22,28,18,5,8,20,9,12,15,13,11,25,2,26,27,19,14,24,16,23,17,10/E:(1,2,3)(20,21)/rA:28cCCCCCCCCCSCCCNCNNCNCCCNNCFFC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;d15;s13s16;s17;s11d18;s15;s20;d21;s22;d20s23;s23;s25;s25;s5s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20F2N6S
All Atoms:48
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.8372
Area:582.005
Solvation:-3.71294
Coulombic:-34.7607
Bond Count [?]
All:32
Single:25
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:402.465
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.35
LogP (Chemaxon):5.47

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Descriptor Annotations

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