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Chemical ID: 7219050
Chemical ID:
7219050
Name [?]:
1-[(3,5-dimethyl-1H-pyrazol-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)c3c([nH]nc3C)C
InChi [?]:
InChI=1/C15H24N6O4S2/c1-5-19-10-14(11(2)18-19)26(22,23)20-6-8-21(9-7-20)27(24,25)15-12(3)16-17-13(15)4/h10H,5-9H2,1-4H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,8,26,27,2,13,17,14,16,4,6,25,22,5,21,24,23,7,3,12,15,10,11,19,20,9,18/E:(3,4)(6,7)(8,9)(12,13)(16,17)(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;d21;s22;s23;s21d24;s25;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N6O4S2 |
All Atoms: | 51 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1131 |
Area: | 574.235 |
Solvation: | -4.2428 |
Coulombic: | -26.2535 |
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: | -0.07 |
LogP (Chemaxon): | -0.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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