Chemical ID: 7221448

CCOc1ccc(cc1OCC)Cc2nc3c4ccccc4ncn3n2
Chemical ID:
7221448
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1OCC)Cc2nc3c4ccccc4ncn3n2
InChi [?]:
InChI=1/C20H20N4O2/c1-3-25-17-10-9-14(11-18(17)26-4-2)12-19-22-20-15-7-5-6-8-16(15)21-13-24(20)23-19/h5-11,13H,3-4,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,11,19,20,18,21,6,5,8,13,24,7,17,22,4,9,14,16,23,15,26,25,3,10/rA:26nCCOCCCCCCOCCCCNCCCCCCCNCNN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;s14;d15;s16;s17;d18;s19;d20;d17s21;s22;d23;s16s24;d14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N4O2
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.26105
Area:573.396
Solvation:-5.07386
Coulombic:-32.1349
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:348.399
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.45
LogP (Chemaxon):4.46

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Descriptor Annotations

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