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Chemical ID: 4955177
Chemical ID:
4955177
Name [?]:
N,N-diethyl-N',N'-dipiperazin-5-yl-piperazine-1,4-disulfonamide
SMILES [?]:
CCN(CC)S(=O)(=O)N1CCN(CC1)S(=O)(=O)N(CC)CC
InChi [?]:
InChI=1/C12H28N4O4S2/c1-5-13(6-2)21(17,18)15-9-11-16(12-10-15)22(19,20)14(7-3)8-4/h5-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,20,22,2,4,19,21,10,14,11,13,3,18,9,12,7,8,16,17,6,15/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18,19,20)(21,22)/CRV:21.6,22.6/rA:22nCCNCCSOONCCNCCSOONCCCC/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;s10;s11;s12;s9s13;s12;d15;d15;s15;s18;s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H28N4O4S2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.209 |
Area: | 526.684 |
Solvation: | -2.95814 |
Coulombic: | -18.9348 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 356.507 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | -0.28 |
LogP (Chemaxon): | -0.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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