Chemical ID: 6856961

Cc1ccc2c(c1)oc(c(c2=O)OCC(=O)NCc3ccccc3)c4ccco4
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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