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Chemical ID: 6847428
Chemical ID:
6847428
Name [?]:
N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
Cc1cc(c2c(c1)oc(c(c2=O)OCC(=O)Nc3cccc(c3)Cl)c4ccc(cc4)OC)C
InChi [?]:
InChI=1/C26H22ClNO5/c1-15-11-16(2)23-21(12-15)33-25(17-7-9-20(31-3)10-8-17)26(24(23)30)32-14-22(29)28-19-6-4-5-18(27)13-19/h4-13H,14H2,1-3H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,33,32,20,21,19,26,30,27,29,3,7,23,14,2,4,25,22,18,28,6,15,5,11,9,10,24,17,16,12,31,13,8/E:(7,8)(9,10)/rA:33nCCCCCCCOCCCOOCCONCCCCCCClCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s9;s25;d26;s27;d28;d25s29;s28;s31;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H22ClNO5 |
All Atoms: | 55 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0543 |
Area: | 688.702 |
Solvation: | -6.16325 |
Coulombic: | -54.3944 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 463.909 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.02 |
LogP (Chemaxon): | 5.65 |
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
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