Chemical ID: 5300342

CCc1nc2c3ccccc3oc2c(n1)N4CCN(CC4)c5ncccn5
Chemical ID:
5300342
Name [?]:
None
SMILES [?]:
CCc1nc2c3ccccc3oc2c(n1)N4CCN(CC4)c5ncccn5
InChi [?]:
InChI=1/C20H20N6O/c1-2-16-23-17-14-6-3-4-7-15(14)27-18(17)19(24-16)25-10-12-26(13-11-25)20-21-8-5-9-22-20/h3-9H,2,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,9,25,7,10,24,26,17,21,18,20,6,11,3,5,13,14,22,23,27,4,15,16,19,12/E:(8,9)(10,11)(12,13)(21,22)/rA:27nCCCNCCCCCCCOCCNNCCNCCCNCCCN/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;d13;d3s14;s14;s16;s17;s18;s19;s16s20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N6O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.7909
Area:559.717
Solvation:-3.202
Coulombic:-45.5223
Bond Count [?]
All:31
Single:22
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:360.413
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.97
LogP (Chemaxon):5.3

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Experimental Annotations

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Descriptor Annotations

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