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Chemical ID: 6908657

COc1ccc(cc1OC)c2c(c(=O)c3ccccc3o2)OCC(=O)NCCc4ccccc4

Chemical ID:

6908657

Name [?]:

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

SMILES [?]:

COc1ccc(cc1OC)c2c(c(=O)c3ccccc3o2)OCC(=O)NCCc4ccccc4

InChi [?]:

InChI=1/C27H25NO6/c1-31-22-13-12-19(16-23(22)32-2)26-27(25(30)20-10-6-7-11-21(20)34-26)33-17-24(29)28-15-14-18-8-4-3-5-9-18/h3-13,16H,14-15,17H2,1-2H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,10,32,31,33,17,18,30,34,16,19,5,4,28,27,7,23,29,6,15,20,3,8,24,13,11,12,26,25,14,2,9,22,21/E:(4,5)(8,9)/rA:34nCOCCCCCCOCCCCOCCCCCCOOCCONCCCCCCCC/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;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₅NO₆
All Atoms:	59
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	9.3075
Area:	705.776
Solvation:	-8.33689
Coulombic:	-62.1016

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	459.491
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.47
LogP (Chemaxon):	3.81

Name Annotations

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

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