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Chemical ID: 6908647

COc1ccc(cc1)c2c(c(=O)c3ccccc3o2)OCC(=O)NCc4ccco4

Chemical ID:

6908647

Name [?]:

N-(2-furylmethyl)-2-[2-(4-methoxyphenyl)-4-oxo-chromen-3-yl]oxy-acetamide

SMILES [?]:

COc1ccc(cc1)c2c(c(=O)c3ccccc3o2)OCC(=O)NCc4ccco4

InChi [?]:

InChI=1/C23H19NO6/c1-27-16-10-8-15(9-11-16)22-23(21(26)18-6-2-3-7-19(18)30-22)29-14-20(25)24-13-17-5-4-12-28-17/h2-12H,13-14H2,1H3,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,15,16,28,27,14,17,5,7,4,8,29,25,21,6,3,26,13,18,22,11,9,10,24,23,12,2,30,20,19/E:(8,9)(10,11)/rA:30nCOCCCCCCCCCOCCCCCCOOCCONCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s11;s13;d14;s15;d16;d13s17;s9s18;s10;s20;s21;d22;s22;s24;s25;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₉NO₆
All Atoms:	49
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	8.88356
Area:	634.512
Solvation:	-6.97924
Coulombic:	-60.8644

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	405.4
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.37
LogP (Chemaxon):	2.76

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value