Chemical ID: 7219808

Cc1c(c(n[nH]1)C)S(=O)(=O)[N-]c2ncn(n2)Cc3cccc(c3)F
Chemical ID:
7219808
Name [?]:
(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-azanide
SMILES [?]:
Cc1c(c(n[nH]1)C)S(=O)(=O)[N-]c2ncn(n2)Cc3cccc(c3)F
InChi [?]:
InChI=1/C14H14FN6O2S/c1-9-13(10(2)18-17-9)24(22,23)20-14-16-8-21(19-14)7-11-4-3-5-12(15)6-11/h3-6,8H,7H2,1-2H3,(H-,17,18,19,20)/q-1
InChi Info:
AuxInfo=1/2/N:1,7,20,19,21,23,17,14,2,4,18,22,3,12,24,13,6,5,16,11,15,9,10,8/E:(1,2)(9,10)(17,18)(22,23)/CRV:20-1,24.6/rA:24nCCCCNNCSOON-CNCNNCCCCCCCF/rB:s1;d2;s3;d4;s2s5;s4;s3;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:-23.391
Area:527.199
Solvation:-36.571
Coulombic:2.77751
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:349.365
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.7
LogP (Chemaxon):1.18

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