Chemical ID: 6856977

Cc1ccc2c(c1)oc(c(c2=O)OCC(=O)Nc3ccccc3F)c4ccco4
Chemical ID:
6856977
Name [?]:
N-(2-fluorophenyl)-2-[2-(2-furyl)-7-methyl-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
Cc1ccc2c(c1)oc(c(c2=O)OCC(=O)Nc3ccccc3F)c4ccco4
InChi [?]:
InChI=1/C22H16FNO5/c1-13-8-9-14-18(11-13)29-21(17-7-4-10-27-17)22(20(14)26)28-12-19(25)24-16-6-3-2-5-15(16)23/h2-11H,12H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,21,20,27,22,19,26,3,4,28,7,14,2,5,23,18,25,6,15,11,9,10,24,17,16,12,29,13,8/rA:29nCCCCCCCOCCCOOCCONCCCCCCFCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s9;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16FNO5
All Atoms:45
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:8.40598
Area:584.255
Solvation:-6.20038
Coulombic:-57.5875
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:393.365
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.91
LogP (Chemaxon):3.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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