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Chemical ID: 6896574

c1ccc(cc1)c2c(c(=O)c3ccccc3o2)OCC(=O)Nc4ccc(cc4)F

Chemical ID:

6896574

Name [?]:

N-(4-fluorophenyl)-2-(4-oxo-2-phenyl-chromen-3-yl)oxy-acetamide

SMILES [?]:

c1ccc(cc1)c2c(c(=O)c3ccccc3o2)OCC(=O)Nc4ccc(cc4)F

InChi [?]:

InChI=1/C23H16FNO4/c24-16-10-12-17(13-11-16)25-20(26)14-28-23-21(27)18-8-4-5-9-19(18)29-22(23)15-6-2-1-3-7-15/h1-13H,14H2,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,2,6,13,14,3,5,12,15,25,27,24,28,19,4,26,23,11,16,20,9,7,8,29,22,21,10,18,17/E:(2,3)(6,7)(10,11)(12,13)/rA:29nCCCCCCCCCOCCCCCCOOCCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s8;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₆FNO₄
All Atoms:	45
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.04195
Area:	587.005
Solvation:	-5.63318
Coulombic:	-51.4939

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	389.376
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.77
LogP (Chemaxon):	4.59

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