Chemical ID: 7678807

COc1cccc(c1)n2c3c(c(=O)n(cn3)CC(=O)N4CCCC4)nn2
Chemical ID:
7678807
Name [?]:
None
SMILES [?]:
COc1cccc(c1)n2c3c(c(=O)n(cn3)CC(=O)N4CCCC4)nn2
InChi [?]:
InChI=1/C17H18N6O3/c1-26-13-6-4-5-12(9-13)23-16-15(19-20-23)17(25)22(11-18-16)10-14(24)21-7-2-3-8-21/h4-6,9,11H,2-3,7-8,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,23,5,6,4,21,24,8,17,15,7,3,18,11,10,12,16,25,26,20,14,9,19,13,2/E:(2,3)(7,8)/rA:26nCOCCCCCCNCCCONCNCCONCCCCNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;s22;s20s23;s11;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N6O3
All Atoms:44
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:8.8075
Area:556.09
Solvation:-5.09475
Coulombic:-49.9225
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:0.2
LogP (Chemaxon):None

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Descriptor Annotations

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