Chemical ID: 6590541

CC(C)(C)c1ccc(cc1)NC(=O)CSc2cccc[n+]2[O-]
Chemical ID:
6590541
Name [?]:
2-[(1-oxido-2-pyridyl)sulfanyl]-N-(4-tert-butylphenyl)-acetamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)NC(=O)CSc2cccc[n+]2[O-]
InChi [?]:
InChI=1/C17H20N2O2S/c1-17(2,3)13-7-9-14(10-8-13)18-15(20)12-22-16-6-4-5-11-19(16)21/h4-11H,12H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,18,19,17,6,10,7,9,20,14,5,8,12,16,2,11,21,13,22,15/E:(1,2,3)(7,8)(9,10)/CRV:19.5/rA:22nCCCCCCCCCCNCOCSCCCCCN+O-/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-0.031882
Area:531.15
Solvation:-13.3106
Coulombic:-31.4388
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:316.419
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.37
LogP (Chemaxon):2.64

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