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Chemical ID: 6847208
Chemical ID:
6847208
Name [?]:
2-[2-(2-furyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxy-N-(2-furylmethyl)acetamide
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)NCc4ccco4)C
InChi [?]:
InChI=1/C22H19NO6/c1-13-9-14(2)20-16(10-13)19(25)22(21(29-20)17-6-4-8-27-17)28-12-18(24)23-11-15-5-3-7-26-15/h3-10H,11-12H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,29,26,15,25,14,27,16,3,7,23,19,2,4,24,6,13,20,8,5,11,10,22,21,9,28,17,18,12/rA:29nCCCCCCCCOCCOCCCCOOCCONCCCCCOC/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;s24s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19NO6 |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.48458 |
Area: | 612.185 |
Solvation: | -6.82006 |
Coulombic: | -59.213 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 393.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.81 |
LogP (Chemaxon): | 2.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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