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Chemical ID: 7219206
Chemical ID:
7219206
Name [?]:
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperazine
SMILES [?]:
CCn1cc(c(n1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3cnn(c3C)C
InChi [?]:
InChI=1/C15H24N6O4S2/c1-5-19-11-15(12(2)17-19)27(24,25)21-8-6-20(7-9-21)26(22,23)14-10-16-18(4)13(14)3/h10-11H,5-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,26,27,2,14,16,13,17,22,4,6,25,21,5,23,7,24,3,15,12,19,20,10,11,18,9/E:(6,7)(8,9)(22,23)(24,25)/CRV:26.6,27.6/rA:27nCCNCCCNCSOONCCNCCSOOCCNNCCC/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;d9;d9;s9;s12;s13;s14;s15;s12s16;s15;d18;d18;s18;s21;d22;s23;d21s24;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N6O4S2 |
All Atoms: | 51 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91094 |
Area: | 578.093 |
Solvation: | -4.54139 |
Coulombic: | -20.6468 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 416.521 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | -0.41 |
LogP (Chemaxon): | -0.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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