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Chemical ID: 6902529

CCc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OCC(=O)Nc4ccccc4OC

Chemical ID:

6902529

Name [?]:

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

SMILES [?]:

CCc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OCC(=O)Nc4ccccc4OC

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,33,2,28,29,27,30,4,15,19,16,18,5,8,22,3,14,17,7,26,6,31,23,9,12,11,20,25,24,10,32,21,13/E:(9,10)(11,12)/rA:33nCCCCCCCCCOCCOCCCCCCClOCCONCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;d11;s6s12;s12;s14;d15;s16;d17;d14s18;s17;s11;s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	11.9093
Area:	698.538
Solvation:	-5.55416
Coulombic:	-56.4668

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	463.909
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.05
LogP (Chemaxon):	5.58

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