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Chemical ID: 6902614

CCc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCC(=O)Nc4c(cc(cc4C)C)C

Chemical ID:

6902614

Name [?]:

2-[6-ethyl-2-(4-methoxyphenyl)-4-oxo-chromen-3-yl]oxy-N-(2,4,6-trimethylphenyl)-acetamide

SMILES [?]:

CCc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCC(=O)Nc4c(cc(cc4C)C)C

InChi [?]:

InChI=1/C29H29NO5/c1-6-20-7-12-24-23(15-20)27(32)29(28(35-24)21-8-10-22(33-5)11-9-21)34-16-25(31)30-26-18(3)13-17(2)14-19(26)4/h7-15H,6,16H2,1-5H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,34,33,35,21,2,4,15,19,16,18,5,31,29,8,23,30,32,28,3,14,17,7,6,24,27,9,12,11,26,25,10,20,22,13/E:(3,4)(8,9)(10,11)(13,14)(18,19)/rA:35nCCCCCCCCCOCCOCCCCCCOCOCCONCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;d11;s6s12;s12;s14;d15;s16;d17;d14s18;s17;s20;s11;s22;s23;d24;s24;s26;s27;d28;s29;d30;d27s31;s32;s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₉NO₅
All Atoms:	64
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8488
Area:	718.071
Solvation:	-6.10294
Coulombic:	-54.3065

Bond Count [?]

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

Chemical Properties

Molecular Weight:	471.544
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.32
LogP (Chemaxon):	5.16

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