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Chemical ID: 4763803
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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