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Chemical ID: 6874782

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)Nc4ccc(cc4)OC

Chemical ID:

6874782

Name [?]:

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

SMILES [?]:

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)Nc4ccc(cc4)OC

InChi [?]:

InChI=1/C25H20ClNO5/c1-15-7-12-21-19(13-15)23(29)25(24(32-21)18-5-3-4-6-20(18)26)31-14-22(28)27-16-8-10-17(30-2)11-9-16/h3-13H,14H2,1-2H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,32,15,16,14,17,3,26,30,27,29,4,7,21,2,25,28,13,6,18,5,22,8,11,10,19,24,23,9,31,20,12/E:(8,9)(10,11)/rA:32nCCCCCCCCOCCOCCCCCCClOCCONCCCCCCOC/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;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₀ClNO₅
All Atoms:	52
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6661
Area:	662.3
Solvation:	-5.89141
Coulombic:	-54.7414

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	449.883
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.58
LogP (Chemaxon):	5.18

Name Annotations

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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