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Chemical ID: 7725152
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
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Experimental Annotations
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Descriptor Annotations
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