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Chemical ID: 5280074
Chemical ID:
5280074
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)C)n2c3c(cn2)c4nc(nn4cn3)C5CCCCC5
InChi [?]:
InChI=1/C20H22N6/c1-13-8-9-17(14(2)10-13)26-19-16(11-22-26)20-23-18(24-25(20)12-21-19)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,24,23,25,22,26,3,4,7,12,19,2,6,21,11,5,16,10,14,20,13,15,17,18,9/E:(4,5)(6,7)/rA:26nCCCCCCCCNCCCNCNCNNCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s11;d14;s15;d16;s14s17;s18;s10d19;s16;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N6 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7486 |
Area: | 550.594 |
Solvation: | -2.01621 |
Coulombic: | -23.2168 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 346.429 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.32 |
LogP (Chemaxon): | 5.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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