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Chemical ID: 6896560

COc1ccc(cc1OC)c2c(c(=O)c3ccccc3o2)OCC(=O)Nc4ccc(cc4)Oc5ccccc5

Chemical ID:

6896560

Name [?]:

2-[2-(3,4-dimethoxyphenyl)-4-oxo-chromen-3-yl]oxy-N-(4-phenoxyphenyl)-acetamide

SMILES [?]:

COc1ccc(cc1OC)c2c(c(=O)c3ccccc3o2)OCC(=O)Nc4ccc(cc4)Oc5ccccc5

InChi [?]:

InChI=1/C31H25NO7/c1-35-26-17-12-20(18-27(26)36-2)30-31(29(34)24-10-6-7-11-25(24)39-30)37-19-28(33)32-21-13-15-23(16-14-21)38-22-8-4-3-5-9-22/h3-18H,19H2,1-2H3,(H,32,33)

InChi Info:

AuxInfo=1/1/N:1,10,37,36,38,17,18,35,39,16,19,5,28,32,29,31,4,7,23,6,27,34,30,15,20,3,8,24,13,11,12,26,25,14,2,9,22,33,21/E:(4,5)(8,9)(13,14)(15,16)/rA:39nCOCCCCCCOCCCCOCCCCCCOOCCONCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;d13;s13;s15;d16;s17;d18;d15s19;s11s20;s12;s22;s23;d24;s24;s26;s27;d28;s29;d30;d27s31;s30;s33;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₂₅NO₇
All Atoms:	64
Heavy Atoms:	39
Chiral Atoms:	0

ZAP Information [?]

Total:	9.82437
Area:	756.315
Solvation:	-9.08351
Coulombic:	-69.0189

Bond Count [?]

All:	43
Single:	28
Double:	15
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	523.533
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.65
LogP (Chemaxon):	5.37

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

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Chemical Mix	Source	External ID	Descriptor	Value