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Chemical ID: 6847306

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

Chemical ID:

6847306

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C27H25NO5/c1-16-5-7-19(8-6-16)26-27(25(30)24-18(3)13-17(2)14-22(24)33-26)32-15-23(29)28-20-9-11-21(31-4)12-10-20/h5-14H,15H2,1-4H3,(H,28,29)

InChi Info:

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

Chemical Details

Atom Count

Formula:	C₂₇H₂₅NO₅
All Atoms:	58
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9283
Area:	675.977
Solvation:	-5.97114
Coulombic:	-54.34

Bond Count [?]

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

Chemical Properties

Molecular Weight:	443.491
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.84
LogP (Chemaxon):	5.6

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