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Chemical ID: 6847209
Chemical ID:
6847209
Name [?]:
N-cyclohexyl-2-[2-(2-furyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)NC4CCCCC4)C
InChi [?]:
InChI=1/C23H25NO5/c1-14-11-15(2)21-17(12-14)20(26)23(22(29-21)18-9-6-10-27-18)28-13-19(25)24-16-7-4-3-5-8-16/h6,9-12,16H,3-5,7-8,13H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,29,26,25,27,15,24,28,14,16,3,7,19,2,4,23,6,13,20,8,5,11,10,22,21,9,17,18,12/E:(4,5)(7,8)/rA:29nCCCCCCCCOCCOCCCCOOCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;s19;d20;s20;s22;s23;s24;s25;s26;s23s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25NO5 |
All Atoms: | 54 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.73738 |
Area: | 611.072 |
Solvation: | -5.53941 |
Coulombic: | -53.5518 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 395.448 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.24 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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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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