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Chemical ID: 6879720

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCC(=O)NCc4ccccc4

Chemical ID:

6879720

Name [?]:

N-benzyl-2-[2-(4-methoxyphenyl)-6-methyl-4-oxo-chromen-3-yl]oxy-acetamide

SMILES [?]:

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCC(=O)NCc4ccccc4

InChi [?]:

InChI=1/C26H23NO5/c1-17-8-13-22-21(14-17)24(29)26(25(32-22)19-9-11-20(30-2)12-10-19)31-16-23(28)27-15-18-6-4-3-5-7-18/h3-14H,15-16H2,1-2H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,20,30,29,31,28,32,3,14,18,15,17,4,7,26,22,2,27,13,16,6,5,23,8,11,10,25,24,9,19,21,12/E:(4,5)(6,7)(9,10)(11,12)/rA:32nCCCCCCCCOCCOCCCCCCOCOCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;s22;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₃NO₅
All Atoms:	55
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9056
Area:	673.005
Solvation:	-5.91955
Coulombic:	-56.0419

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	429.465
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.11
LogP (Chemaxon):	4.28

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