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Chemical ID: 6847111

CCc1ccc(cc1)NC(=O)COc2c(=O)c3cc(cc(c3oc2c4ccc(c(c4)OC)OC)C)C

Chemical ID:

6847111

Name [?]:

2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxy-N-(4-ethylphenyl)-acetamide

SMILES [?]:

CCc1ccc(cc1)NC(=O)COc2c(=O)c3cc(cc(c3oc2c4ccc(c(c4)OC)OC)C)C

InChi [?]:

InChI=1/C29H29NO6/c1-6-19-7-10-21(11-8-19)30-25(31)16-35-29-26(32)22-14-17(2)13-18(3)27(22)36-28(29)20-9-12-23(33-4)24(15-20)34-5/h7-15H,6,16H2,1-5H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,36,35,34,32,2,4,8,26,5,7,27,20,18,30,12,19,21,3,25,6,17,28,29,10,15,22,24,14,9,11,16,33,31,13,23/E:(7,8)(10,11)/rA:36nCCCCCCCCNCOCOCCOCCCCCCOCCCCCCCOCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;s25;d26;s27;d28;d25s29;s29;s31;s28;s33;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₉NO₆
All Atoms:	65
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5692
Area:	745.301
Solvation:	-8.06337
Coulombic:	-60.79

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	487.544
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.74
LogP (Chemaxon):	5.74

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

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

Chemical Mix	Source	External ID	Descriptor	Value