Chemical ID: 7725152

c1cc(nn2c1nnc2c3ccncc3)SCC(=O)N4CCCCCC4
Chemical ID:
7725152
Name [?]:
None
SMILES [?]:
c1cc(nn2c1nnc2c3ccncc3)SCC(=O)N4CCCCCC4
InChi [?]:
InChI=1/C18H20N6OS/c25-17(23-11-3-1-2-4-12-23)13-26-16-6-5-15-20-21-18(24(15)22-16)14-7-9-19-10-8-14/h5-10H,1-4,11-13H2
InChi Info:
AuxInfo=1/0/N:23,24,22,25,1,2,11,15,12,14,21,26,17,10,6,3,18,9,13,7,8,4,20,5,19,16/E:(1,2)(3,4)(7,8)(9,10)(11,12)/rA:26nCCCNNCNNCCCCNCCSCCONCCCCCC/rB:d1;s2;d3;s4;s1s5;d6;s7;s5d8;s9;s10;d11;s12;d13;d10s14;s3;s16;s17;d18;s18;s20;s21;s22;s23;s24;s20s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N6OS
All Atoms:46
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:10.1052
Area:544.996
Solvation:-3.51969
Coulombic:-31.3157
Bond Count [?]
All:29
Single:21
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.87
LogP (Chemaxon):None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue