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Chemical ID: 7219007
Chemical ID:
7219007
Name [?]:
1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
SMILES [?]:
Cc1c(cnn1C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3cnn(c3C)C
InChi [?]:
InChI=1/C14H22N6O4S2/c1-11-13(9-15-17(11)3)25(21,22)19-5-7-20(8-6-19)26(23,24)14-10-16-18(4)12(14)2/h9-10H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,7,26,12,16,13,15,4,21,2,24,3,20,5,22,6,23,11,14,9,10,18,19,8,17/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)(25,26)/CRV:25.6,26.6/rA:26nCCCCNNCSOONCCNCCSOOCCNNCCC/rB:s1;d2;s3;d4;s2s5;s6;s3;d8;d8;s8;s11;s12;s13;s14;s11s15;s14;d17;d17;s17;s20;d21;s22;d20s23;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22N6O4S2 |
All Atoms: | 48 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.98746 |
Area: | 549.781 |
Solvation: | -4.75705 |
Coulombic: | -20.0888 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 402.495 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | -0.74 |
LogP (Chemaxon): | -1.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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