Chemical ID: 5291275

Cn1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)N4CCN(CC4)C
Chemical ID:
5291275
Name [?]:
None
SMILES [?]:
Cn1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)N4CCN(CC4)C
InChi [?]:
InChI=1/C18H20N6O2/c1-21-7-9-23(10-8-21)17(25)12-11-13-16(22(2)15(12)19)20-14-5-3-4-6-24(14)18(13)26/h3-6,11,19H,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:26,1,12,13,11,14,22,24,21,25,6,5,7,10,3,8,18,16,4,9,23,2,20,15,19,17/E:(7,8)(9,10)/rA:26nCNCNCCCCNCCCCCNCOCONCCNCCC/rB:s1;s2;w3;s3;d5;s6;s2d7;s8;d9;s10;d11;s12;d13;s10s14;s7s15;d16;s5;d18;s18;s20;s21;s22;s23;s20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N6O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.40412
Area:527.939
Solvation:-3.79435
Coulombic:-60.5525
Bond Count [?]
All:29
Single:21
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:352.391
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:-0.33
LogP (Chemaxon):1.16

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Descriptor Annotations

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