Chemical ID: 7165490

Cc1cc(nn1CCc2nc3c4c(c(sc4ncn3n2)C)C)C(F)(F)F
Chemical ID:
7165490
Name [?]:
None
SMILES [?]:
Cc1cc(nn1CCc2nc3c4c(c(sc4ncn3n2)C)C)C(F)(F)F
InChi [?]:
InChI=1/C16H15F3N6S/c1-8-6-11(16(17,18)19)22-24(8)5-4-12-21-14-13-9(2)10(3)26-15(13)20-7-25(14)23-12/h6-7H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,21,8,7,3,18,2,13,14,4,9,12,11,16,23,24,25,26,17,10,5,20,6,19,15/E:(17,18,19)/rA:26nCCCCNNCCCNCCCCSCNCNNCCCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s9;d10;s11;s12;d13;s14;d12s15;s16;d17;s11s18;d9s19;s14;s13;s4;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15F3N6S
All Atoms:41
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.9976
Area:557.336
Solvation:-2.93582
Coulombic:-39.9214
Bond Count [?]
All:29
Single:22
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:380.392
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.15
LogP (Chemaxon):4.48

Name Annotations

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Descriptor Annotations

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