Chemical ID: 5666612

c1ccc(cc1)CNC(=O)NC(=O)CSc2cccc[n+]2[O-]
Chemical ID:
5666612
Name [?]:
N-(benzylcarbamoyl)-2-[(1-oxido-2-pyridyl)sulfanyl]acetamide
SMILES [?]:
c1ccc(cc1)CNC(=O)NC(=O)CSc2cccc[n+]2[O-]
InChi [?]:
InChI=1/C15H15N3O3S/c19-13(11-22-14-8-4-5-9-18(14)21)17-15(20)16-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,16,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,3,5,17,20,7,14,4,12,16,9,8,11,21,13,10,22,15/E:(2,3)(6,7)/CRV:18.5/rA:22nCCCCCCCNCONCOCSCCCCCN+O-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N3O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-2.09056
Area:533.667
Solvation:-15.4322
Coulombic:-51.662
Bond Count [?]
All:23
Single:15
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:317.364
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.79
LogP (Chemaxon):0.36

Name Annotations

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Descriptor Annotations

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