Chemical ID: 4763803

Cc1cnc(c(c1OC)C)CS(=O)c2[nH]c3cc(ccc3n2)OC
Chemical ID:
4763803
Name [?]:
5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-3H-benzoimidazole
SMILES [?]:
Cc1cnc(c(c1OC)C)CS(=O)c2[nH]c3cc(ccc3n2)OC
InChi [?]:
InChI=1/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,10,24,9,19,20,17,3,11,2,6,18,21,16,5,7,14,4,22,15,13,23,8,12/rA:24cCCCNCCCOCCCSOCNCCCCCCNOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s6;s5;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;d14s21;s18;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N3O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.86203
Area:542.587
Solvation:-5.70264
Coulombic:-39.1679
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:345.417
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.6
LogP (Chemaxon):2.45

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Descriptor Annotations

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