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Chemical ID: 6902623

CCc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCC(=O)Nc4ccc(cc4OC)OC

Chemical ID:

6902623

Name [?]:

N-(2,4-dimethoxyphenyl)-2-[6-ethyl-2-(4-methoxyphenyl)-4-oxo-chromen-3-yl]oxy-acetamide

SMILES [?]:

CCc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCC(=O)Nc4ccc(cc4OC)OC

InChi [?]:

InChI=1/C28H27NO7/c1-5-17-6-13-23-21(14-17)26(31)28(27(36-23)18-7-9-19(32-2)10-8-18)35-16-25(30)29-22-12-11-20(33-3)15-24(22)34-4/h6-15H,5,16H2,1-4H3,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,21,36,34,2,4,15,19,16,18,29,28,5,8,31,23,3,14,17,30,7,27,6,32,24,9,12,11,26,25,10,20,35,33,22,13/E:(7,8)(9,10)/rA:36nCCCCCCCCCOCCOCCCCCCOCOCCONCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;d11;s6s12;s12;s14;d15;s16;d17;d14s18;s17;s20;s11;s22;s23;d24;s24;s26;s27;d28;s29;d30;d27s31;s32;s33;s30;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₇NO₇
All Atoms:	63
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7246
Area:	739.626
Solvation:	-7.7661
Coulombic:	-68.9813

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	10
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	489.517
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.26
LogP (Chemaxon):	4.55

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