Chemical ID: 7219810

CCn1c(c(cn1)S(=O)(=O)Nc2ncn(n2)Cc3ccccc3C)C
Chemical ID:
7219810
Name [?]:
1-ethyl-5-methyl-N-[1-(o-tolylmethyl)-1,2,4-triazol-3-yl]-pyrazole-4-sulfonamide
SMILES [?]:
CCn1c(c(cn1)S(=O)(=O)Nc2ncn(n2)Cc3ccccc3C)C
InChi [?]:
InChI=1/C16H20N6O2S/c1-4-22-13(3)15(9-18-22)25(23,24)20-16-17-11-21(19-16)10-14-8-6-5-7-12(14)2/h5-9,11H,4,10H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,24,25,2,21,20,22,19,6,17,14,23,4,18,5,12,13,7,16,11,15,3,9,10,8/E:(23,24)/CRV:25.6/rA:25nCCNCCCNSOONCNCNNCCCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s5;d8;d8;s8;s11;s12;d13;s14;d12s15;s15;s17;s18;d19;s20;d21;d18s22;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N6O2S
All Atoms:45
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.2896
Area:555.195
Solvation:-3.59032
Coulombic:-28.2007
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:360.435
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.21
LogP (Chemaxon):1.63

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Descriptor Annotations

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