Chemical ID: 7424258

CN1CCc2c(c(nc3c2c(n[nH]3)N)Nc4ccc(cc4)OC)C1
Chemical ID:
7424258
Name [?]:
None
SMILES [?]:
CN1CCc2c(c(nc3c2c(n[nH]3)N)Nc4ccc(cc4)OC)C1
InChi [?]:
InChI=1/C17H20N6O/c1-23-8-7-12-13(9-23)16(20-17-14(12)15(18)21-22-17)19-10-3-5-11(24-2)6-4-10/h3-6H,7-9H2,1-2H3,(H4,18,19,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,17,21,18,20,4,3,24,16,19,5,6,10,11,7,9,14,15,8,12,13,2,22/E:(3,4)(5,6)/rA:24cCNCCCCCNCCCNNNNCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;s9s12;s11;s7;s15;s16;d17;s18;d19;d16s20;s19;s22;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N6O
All Atoms:44
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.86147
Area:510.608
Solvation:-3.90374
Coulombic:-55.1489
Bond Count [?]
All:27
Single:20
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:324.381
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.58
LogP (Chemaxon):2.37

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Descriptor Annotations

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