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Chemical ID: 7336299
Chemical ID:
7336299
Name [?]:
2-dibenzofuran-2-yloxy-N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-acetamide
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(n2)NC(=O)COc3ccc4c(c3)c5ccccc5o4)C
InChi [?]:
InChI=1/C26H22N2O4S/c1-3-30-18-10-8-17(9-11-18)25-16(2)33-26(28-25)27-24(29)15-31-19-12-13-23-21(14-19)20-6-4-5-7-22(20)32-23/h4-14H,3,15H2,1-2H3,(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,33,2,28,29,27,30,6,8,5,9,21,22,25,18,11,7,4,20,26,24,31,23,16,10,13,15,14,17,3,19,32,12/E:(8,9)(10,11)/rA:33nCCOCCCCCCCCSCNNCOCOCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s24;s26;d27;s28;d29;d26s30;s23s31;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H22N2O4S |
All Atoms: | 55 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9879 |
Area: | 702.79 |
Solvation: | -6.58186 |
Coulombic: | -49.5912 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 458.53 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.1 |
LogP (Chemaxon): | 6.28 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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