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Chemical ID: 6879705

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCC(=O)Nc4cccc(c4)C(F)(F)F

Chemical ID:

6879705

Name [?]:

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

SMILES [?]:

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCC(=O)Nc4cccc(c4)C(F)(F)F

InChi [?]:

InChI=1/C26H20F3NO5/c1-15-6-11-21-20(12-15)23(32)25(24(35-21)16-7-9-19(33-2)10-8-16)34-14-22(31)30-18-5-3-4-17(13-18)26(27,28)29/h3-13H,14H2,1-2H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,20,28,29,27,3,14,18,15,17,4,7,31,22,2,13,30,26,16,6,5,23,8,11,10,32,33,34,35,25,24,9,19,21,12/E:(7,8)(9,10)(27,28,29)/rA:35nCCCCCCCCOCCOCCCCCCOCOCCONCCCCCCCFFF/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;s30;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₀F₃NO₅
All Atoms:	55
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	10.472
Area:	686.256
Solvation:	-6.68437
Coulombic:	-72.7391

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	483.436
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.89
LogP (Chemaxon):	5.55

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