Chemical ID: 7219781

CCn1cc(cn1)S(=O)(=O)Nc2ncn(n2)Cc3cccc(c3)F
Chemical ID:
7219781
Name [?]:
1-ethyl-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-pyrazole-4-sulfonamide
SMILES [?]:
CCn1cc(cn1)S(=O)(=O)Nc2ncn(n2)Cc3cccc(c3)F
InChi [?]:
InChI=1/C14H15FN6O2S/c1-2-20-9-13(7-17-20)24(22,23)19-14-16-10-21(18-14)8-11-4-3-5-12(15)6-11/h3-7,9-10H,2,8H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,21,23,6,17,4,14,18,22,5,12,24,13,7,16,11,3,15,9,10,8/E:(22,23)/CRV:24.6/rA:24nCCNCCCNSOONCNCNNCCCCCCCF/rB:s1;s2;s3;d4;s5;s3d6;s5;d8;d8;s8;s11;s12;d13;s14;d12s15;s15;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15FN6O2S
All Atoms:39
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.94533
Area:536.118
Solvation:-4.45763
Coulombic:-31.3713
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:350.373
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.7
LogP (Chemaxon):1.28

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