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Chemical ID: 6874778

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

Chemical ID:

6874778

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C24H17ClFNO4/c1-14-6-11-20-18(12-14)22(29)24(23(31-20)17-4-2-3-5-19(17)25)30-13-21(28)27-16-9-7-15(26)8-10-16/h2-12H,13H2,1H3,(H,27,28)

InChi Info:

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

Chemical Details

Atom Count

Formula:	C₂₄H₁₇ClFNO₄
All Atoms:	48
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3096
Area:	630.736
Solvation:	-5.45884
Coulombic:	-51.3925

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	437.847
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.83
LogP (Chemaxon):	5.57

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

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

Chemical Mix	Source	External ID	Descriptor	Value