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Chemical ID: 7219776
Chemical ID:
7219776
Name [?]:
1,3-dimethyl-N-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]-pyrazole-4-sulfonamide
SMILES [?]:
Cc1ccc(cc1)Cn2cnc(n2)NS(=O)(=O)c3cn(nc3C)C
InChi [?]:
InChI=1/C15H18N6O2S/c1-11-4-6-13(7-5-11)8-21-10-16-15(18-21)19-24(22,23)14-9-20(3)17-12(14)2/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,23,24,3,7,4,6,8,19,10,2,22,5,18,12,11,21,13,14,20,9,16,17,15/E:(4,5)(6,7)(22,23)/CRV:24.6/rA:24nCCCCCCCCNCNCNNSOOCCNNCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;s9d12;s12;s14;d15;d15;s15;d18;s19;s20;s18d21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N6O2S |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.92329 |
Area: | 544.197 |
Solvation: | -3.68165 |
Coulombic: | -27.942 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 346.409 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.7 |
LogP (Chemaxon): | 1.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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