Chemical ID: 6743389

c1ccc(cc1)SCC[NH+]2CC[NH+](CC2)CCSc3ccccc3
Chemical ID:
6743389
Name [?]:
1,4-bis(2-phenylsulfanylethyl)-2,3,5,6-tetrahydropyrazine
SMILES [?]:
c1ccc(cc1)SCC[NH+]2CC[NH+](CC2)CCSc3ccccc3
InChi [?]:
InChI=1/C20H26N2S2/c1-3-7-19(8-4-1)23-17-15-21-11-13-22(14-12-21)16-18-24-20-9-5-2-6-10-20/h1-10H,11-18H2/p+2
InChi Info:
AuxInfo=1/1/N:1,22,2,6,21,23,3,5,20,24,11,15,12,14,9,16,8,17,4,19,10,13,7,18/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:24nCCCCCCSCCN+CCN+CCCCSCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28N2S2+2
All Atoms:52
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-92.5642
Area:610.168
Solvation:-107.818
Coulombic:111.93
Bond Count [?]
All:26
Single:20
Double:6
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:360.582
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.68
LogP (Chemaxon):4.5

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