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Chemical ID: 6879850
Chemical ID:
6879850
Name [?]:
N-(2-furylmethyl)-2-[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)NCc4ccco4
InChi [?]:
InChI=1/C21H17NO6/c1-13-6-7-16-15(10-13)19(24)21(20(28-16)17-5-3-9-26-17)27-12-18(23)22-11-14-4-2-8-25-14/h2-10H,11-12H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,15,25,14,3,4,27,16,7,23,19,2,24,6,5,13,20,8,11,10,22,21,9,28,17,18,12/rA:28nCCCCCCCCOCCOCCCCOOCCONCCCCCO/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17NO6 |
All Atoms: | 45 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.94596 |
Area: | 593.071 |
Solvation: | -6.88082 |
Coulombic: | -59.2442 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 379.363 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.59 |
LogP (Chemaxon): | 2.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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