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Chemical ID: 6219881
Chemical ID:
6219881
Name [?]:
2,6-dimethoxy-N-[4-(4-methoxyphenyl)thiazol-2-yl]-benzamide
SMILES [?]:
COc1ccc(cc1)c2csc(n2)NC(=O)c3c(cccc3OC)OC
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-13-9-7-12(8-10-13)14-11-26-19(20-14)21-18(22)17-15(24-2)5-4-6-16(17)25-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,26,20,21,19,5,7,4,8,10,6,3,9,22,18,17,15,12,13,14,16,2,23,25,11/E:(2,3)(5,6)(7,8)(9,10)(15,16)(24,25)/rA:26nCOCCCCCCCCSCNNCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s23;s18;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O4S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.97069 |
Area: | 582.962 |
Solvation: | -6.60335 |
Coulombic: | -48.7785 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 370.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.57 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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