Chemical ID: 7219553

CCn1cc(cn1)S(=O)(=O)[N-]c2ncn(n2)Cc3cccc(c3)C
Chemical ID:
7219553
Name [?]:
(1-ethylpyrazol-4-yl)sulfonyl-[1-(m-tolylmethyl)-1,2,4-triazol-3-yl]-azanide
SMILES [?]:
CCn1cc(cn1)S(=O)(=O)[N-]c2ncn(n2)Cc3cccc(c3)C
InChi [?]:
InChI=1/C15H17N6O2S/c1-3-20-10-14(8-17-20)24(22,23)19-15-16-11-21(18-15)9-13-6-4-5-12(2)7-13/h4-8,10-11H,3,9H2,1-2H3/q-1
InChi Info:
AuxInfo=1/0/N:1,24,2,20,21,19,23,6,17,4,14,22,18,5,12,13,7,16,11,3,15,9,10,8/E:(22,23)/CRV:19-1,24.6/rA:24nCCNCCCNSOON-CNCNNCCCCCCCC/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:C15H17N6O2S-
All Atoms:41
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-23.0406
Area:561.487
Solvation:-37.0778
Coulombic:12.2632
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:345.401
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.82
LogP (Chemaxon):1.61

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Descriptor Annotations

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