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Chemical ID: 6847222
Chemical ID:
6847222
Name [?]:
2-[2-(2-furyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxy-N-(2-methoxyphenyl)-acetamide
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)Nc4ccccc4OC)C
InChi [?]:
InChI=1/C24H21NO6/c1-14-11-15(2)22-16(12-14)21(27)24(23(31-22)19-9-6-10-29-19)30-13-20(26)25-17-7-4-5-8-18(17)28-3/h4-12H,13H2,1-3H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,31,30,25,26,15,24,27,14,16,3,7,19,2,4,6,23,28,13,20,8,5,11,10,22,21,9,29,17,18,12/rA:31nCCCCCCCCOCCOCCCCOOCCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21NO6 |
All Atoms: | 52 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.13687 |
Area: | 634.877 |
Solvation: | -6.73506 |
Coulombic: | -60.6983 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 419.427 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.89 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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