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Chemical ID: 6856961
Chemical ID:
6856961
Name [?]:
N-benzyl-2-[2-(2-furyl)-7-methyl-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
Cc1ccc2c(c1)oc(c(c2=O)OCC(=O)NCc3ccccc3)c4ccco4
InChi [?]:
InChI=1/C23H19NO5/c1-15-9-10-17-19(12-15)29-22(18-8-5-11-27-18)23(21(17)26)28-14-20(25)24-13-16-6-3-2-4-7-16/h2-12H,13-14H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,27,20,24,26,3,4,28,7,18,14,2,19,5,25,6,15,11,9,10,17,16,12,29,13,8/E:(3,4)(6,7)/rA:29nCCCCCCCOCCCOOCCONCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s9;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19NO5 |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.48606 |
Area: | 612.719 |
Solvation: | -5.83192 |
Coulombic: | -54.6359 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 389.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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