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Chemical ID: 4702234
Chemical ID:
4702234
Name [?]:
N,2-bis[(4-methoxyphenyl)methyl]thiazole-4-carboxamide
SMILES [?]:
COc1ccc(cc1)Cc2nc(cs2)C(=O)NCc3ccc(cc3)OC
InChi [?]:
InChI=1/C20H20N2O3S/c1-24-16-7-3-14(4-8-16)11-19-22-18(13-26-19)20(23)21-12-15-5-9-17(25-2)10-6-15/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,26,5,7,20,24,4,8,21,23,9,18,13,6,19,3,22,12,10,15,17,11,16,2,25,14/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCOCCCCCCCCNCCSCONCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s10s13;s12;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5859 |
Area: | 611.273 |
Solvation: | -4.69597 |
Coulombic: | -44.174 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 368.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.25 |
LogP (Chemaxon): | 3.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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