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Chemical ID: 6847303

Cc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)C)C)OCC(=O)Nc4ccc(cc4)F

Chemical ID:

6847303

Name [?]:

2-[5,7-dimethyl-4-oxo-2-(p-tolyl)chromen-3-yl]oxy-N-(4-fluorophenyl)-acetamide

SMILES [?]:

Cc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)C)C)OCC(=O)Nc4ccc(cc4)F

InChi [?]:

InChI=1/C26H22FNO4/c1-15-4-6-18(7-5-15)25-26(24(30)23-17(3)12-16(2)13-21(23)32-25)31-14-22(29)28-20-10-8-19(27)9-11-20/h4-13H,14H2,1-3H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,19,20,3,7,4,6,28,30,27,31,14,16,22,2,15,13,5,29,26,17,23,12,10,8,9,32,25,24,11,21,18/E:(4,5)(6,7)(8,9)(10,11)/rA:32nCCCCCCCCCCOCCCCCCOCCOCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s15;s13;s9;s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂FNO₄
All Atoms:	54
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6226
Area:	645.062
Solvation:	-5.50394
Coulombic:	-51.0161

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	431.456
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.08
LogP (Chemaxon):	5.99

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