Chemical ID: 6794799

CCCCn1c(=O)c2c([nH+]c3n2CCN3c4cc(cc(c4)C)C)n(c1=O)C
Chemical ID:
6794799
Name [?]:
None
SMILES [?]:
CCCCn1c(=O)c2c([nH+]c3n2CCN3c4cc(cc(c4)C)C)n(c1=O)C
InChi [?]:
InChI=1/C20H25N5O2/c1-5-6-7-25-18(26)16-17(22(4)20(25)27)21-19-23(8-9-24(16)19)15-11-13(2)10-14(3)12-15/h10-12H,5-9H2,1-4H3/p+1
InChi Info:
AuxInfo=1/1/N:1,22,23,27,2,3,4,14,13,19,21,17,20,18,16,8,9,6,11,25,10,24,15,12,5,7,26/E:(2,3)(11,12)(13,14)/rA:27nCCCCNCOCCN+CNCCNCCCCCCCCNCOC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s8s11;s12;s13;s11s14;s15;s16;d17;s18;d19;d16s20;s20;s18;s9;s5s24;d25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N5O2+
All Atoms:53
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:-17.953
Area:585.964
Solvation:-32.6021
Coulombic:-42.8046
Bond Count [?]
All:30
Single:23
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:368.453
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.35
LogP (Chemaxon):4.78

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Descriptor Annotations

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