Chemical ID: 5407179

CCCCOC(=O)c1ccc(cc1)NC(=O)CSc2cccc[n+]2[O-]
Chemical ID:
5407179
Name [?]:
butyl 4-[2-[(1-oxido-2-pyridyl)sulfanyl]acetyl]aminobenzoate
SMILES [?]:
CCCCOC(=O)c1ccc(cc1)NC(=O)CSc2cccc[n+]2[O-]
InChi [?]:
InChI=1/C18H20N2O4S/c1-2-3-12-24-18(22)14-7-9-15(10-8-14)19-16(21)13-25-17-6-4-5-11-20(17)23/h4-11H,2-3,12-13H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,3,21,22,20,9,13,10,12,23,4,17,8,11,15,19,6,14,24,16,7,25,5,18/E:(7,8)(9,10)/CRV:20.5/rA:25nCCCCOCOCCCCCCNCOCSCCCCCN+O-/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:1.14787
Area:607.437
Solvation:-14.038
Coulombic:-50.7255
Bond Count [?]
All:26
Single:18
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:360.428
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.84
LogP (Chemaxon):1.77

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Descriptor Annotations

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