Chemical ID: 7678811

COc1cccc(c1)n2c3c(c(=O)n(cn3)CC(=O)N4CCCCC4)nn2
Chemical ID:
7678811
Name [?]:
None
SMILES [?]:
COc1cccc(c1)n2c3c(c(=O)n(cn3)CC(=O)N4CCCCC4)nn2
InChi [?]:
InChI=1/C18H20N6O3/c1-27-14-7-5-6-13(10-14)24-17-16(20-21-24)18(26)23(12-19-17)11-15(25)22-8-3-2-4-9-22/h5-7,10,12H,2-4,8-9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,24,5,6,4,21,25,8,17,15,7,3,18,11,10,12,16,26,27,20,14,9,19,13,2/E:(3,4)(8,9)/rA:27nCOCCCCCCNCCCONCNCCONCCCCCNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;s22;s23;s20s24;s11;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N6O3
All Atoms:47
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:9.28953
Area:571.583
Solvation:-5.00005
Coulombic:-50.2214
Bond Count [?]
All:30
Single:22
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.56
LogP (Chemaxon):None

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Descriptor Annotations

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