Chemical ID: 7219782

CCn1cc(cn1)S(=O)(=O)[N-]c2ncn(n2)Cc3cccc(c3)F
Chemical ID:
7219782
Name [?]:
(1-ethylpyrazol-4-yl)sulfonyl-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-azanide
SMILES [?]:
CCn1cc(cn1)S(=O)(=O)[N-]c2ncn(n2)Cc3cccc(c3)F
InChi [?]:
InChI=1/C14H14FN6O2S/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/q-1
InChi Info:
AuxInfo=1/0/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:19-1,24.6/rA:24nCCNCCCNSOON-CNCNNCCCCCCCF/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:C14H14FN6O2S-
All Atoms:38
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-23.5466
Area:545.622
Solvation:-37.1872
Coulombic:8.25221
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:349.365
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.54
LogP (Chemaxon):1.28

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