Chemical ID: 4897167

CCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=N)CC(C)C
Chemical ID:
4897167
Name [?]:
None
SMILES [?]:
CCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=N)CC(C)C
InChi [?]:
InChI=1/C20H25N5O2/c1-4-5-9-22-19(26)14-11-15-18(25(17(14)21)12-13(2)3)23-16-8-6-7-10-24(16)20(15)27/h6-8,10-11,13,21H,4-5,9,12H2,1-3H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,26,27,2,3,15,16,14,4,17,9,24,25,8,10,13,22,11,6,19,23,5,12,18,21,7,20/E:(2,3)/rA:27nCCCCNCOCCCCNCCCCCNCONCNCCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;d12;s13;d14;s15;d16;s13s17;s10s18;d19;s11;s8s21;w22;s21;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N5O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.3145
Area:591.852
Solvation:-2.48175
Coulombic:-63.1545
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:367.445
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.31
LogP (Chemaxon):3.54

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Descriptor Annotations

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