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Chemical ID: 6879712

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCC(=O)Nc4cc(ccc4Cl)Cl

Chemical ID:

6879712

Name [?]:

N-(2,5-dichlorophenyl)-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)Nc4cc(ccc4Cl)Cl

InChi [?]:

InChI=1/C25H19Cl2NO5/c1-14-3-10-21-18(11-14)23(30)25(24(33-21)15-4-7-17(31-2)8-5-15)32-13-22(29)28-20-12-16(26)6-9-19(20)27/h3-12H,13H2,1-2H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,20,3,14,18,29,15,17,30,4,7,27,22,2,13,28,16,6,31,26,5,23,8,11,10,33,32,25,24,9,19,21,12/E:(4,5)(7,8)/rA:33nCCCCCCCCOCCOCCCCCCOCOCCONCCCCCCClCl/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;d27;s28;d29;d26s30;s31;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₉Cl₂NO₅
All Atoms:	52
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9585
Area:	706.075
Solvation:	-5.69334
Coulombic:	-55.3784

Bond Count [?]

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

Chemical Properties

Molecular Weight:	484.328
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.21
LogP (Chemaxon):	5.05

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