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Chemical ID: 6847013

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)Nc4ccccc4OC)C

Chemical ID:

6847013

Name [?]:

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

SMILES [?]:

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)Nc4ccccc4OC)C

InChi [?]:

InChI=1/C26H22ClNO5/c1-15-12-16(2)24-18(13-15)23(30)26(25(33-24)17-8-4-5-9-19(17)27)32-14-22(29)28-20-10-6-7-11-21(20)31-3/h4-13H,14H2,1-3H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,33,32,15,16,27,28,14,17,26,29,3,7,21,2,4,13,6,18,25,30,22,8,5,11,10,19,24,23,9,31,20,12/rA:33nCCCCCCCCOCCOCCCCCCClOCCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s18;s10;s20;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;s31;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂ClNO₅
All Atoms:	55
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4355
Area:	672.662
Solvation:	-5.38106
Coulombic:	-56.1048

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	463.909
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.81
LogP (Chemaxon):	5.65

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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