Chemical ID: 7122263

COc1ccccc1C[NH+]2CC[NH+](CC2)Cc3ccccc3OC
Chemical ID:
7122263
Name [?]:
1,4-bis[(2-methoxyphenyl)methyl]-2,3,5,6-tetrahydropyrazine
SMILES [?]:
COc1ccccc1C[NH+]2CC[NH+](CC2)Cc3ccccc3OC
InChi [?]:
InChI=1/C20H26N2O2/c1-23-19-9-5-3-7-17(19)15-21-11-13-22(14-12-21)16-18-8-4-6-10-20(18)24-2/h3-10H,11-16H2,1-2H3/p+2
InChi Info:
AuxInfo=1/1/N:1,24,6,19,5,20,7,18,4,21,11,15,12,14,9,16,8,17,3,22,10,13,2,23/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24nCOCCCCCCCN+CCN+CCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28N2O2+2
All Atoms:52
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-83.3666
Area:534.715
Solvation:-96.7345
Coulombic:86.1708
Bond Count [?]
All:26
Single:20
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:328.449
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.96
LogP (Chemaxon):3.01

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Descriptor Annotations

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