Chemical ID: 7120627

C1CN(CCN1CCO)C(=S)SSC(=S)N2CCN(CC2)CCO
Chemical ID:
7120627
Name [?]:
[4-(2-hydroxyethyl)piperazin-1-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]carbothioyldisulfanyl-methanethione
SMILES [?]:
C1CN(CCN1CCO)C(=S)SSC(=S)N2CCN(CC2)CCO
InChi [?]:
InChI=1/C14H26N4O2S4/c19-11-9-15-1-5-17(6-2-15)13(21)23-24-14(22)18-7-3-16(4-8-18)10-12-20/h19-20H,1-12H2
InChi Info:
AuxInfo=1/0/N:1,5,18,20,2,4,17,21,7,22,8,23,10,14,6,19,3,16,9,24,11,15,12,13/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:24nCCNCCNCCOCSSSCSNCCNCCCCO/rB:s1;s2;s3;s4;s1s5;s6;s7;s8;s3;d10;s10;s12;s13;d14;s14;s16;s17;s18;s19;s16s20;s19;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H26N4O2S4
All Atoms:50
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.63246
Area:602.354
Solvation:-5.42638
Coulombic:-57.013
Bond Count [?]
All:25
Single:23
Double:2
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:410.646
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:-0.58
LogP (Chemaxon):1.2

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