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Chemical ID: 6879702

CCc1ccc(cc1)NC(=O)COc2c(=O)c3cc(ccc3oc2c4ccc(cc4)OC)C

Chemical ID:

6879702

Name [?]:

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

SMILES [?]:

CCc1ccc(cc1)NC(=O)COc2c(=O)c3cc(ccc3oc2c4ccc(cc4)OC)C

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,33,32,2,20,4,8,26,30,5,7,27,29,21,18,12,19,3,25,6,28,17,22,10,15,24,14,9,11,16,31,13,23/E:(6,7)(8,9)(10,11)(12,13)/rA:33nCCCCCCCCNCOCOCCOCCCCCCOCCCCCCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;s25;d26;s27;d28;d25s29;s28;s31;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	11.226
Area:	689.355
Solvation:	-6.00791
Coulombic:	-54.775

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	443.491
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.86
LogP (Chemaxon):	5.53

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

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

Chemical Mix	Source	External ID	Descriptor	Value