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Chemical ID: 6863017

CC(=O)c1cccc(c1)NC(=O)COc2c(=O)c3cc(ccc3oc2c4ccc(cc4)C(C)(C)C)Cl

Chemical ID:

6863017

Name [?]:

N-(3-acetylphenyl)-2-[6-chloro-4-oxo-2-(4-tert-butylphenyl)-chromen-3-yl]oxy-acetamide

SMILES [?]:

CC(=O)c1cccc(c1)NC(=O)COc2c(=O)c3cc(ccc3oc2c4ccc(cc4)C(C)(C)C)Cl

InChi [?]:

InChI=1/C29H26ClNO5/c1-17(32)19-6-5-7-22(14-19)31-25(33)16-35-28-26(34)23-15-21(30)12-13-24(23)36-27(28)18-8-10-20(11-9-18)29(2,3)4/h5-15H,16H2,1-4H3,(H,31,33)

InChi Info:

AuxInfo=1/1/N:1,33,34,35,6,5,7,27,31,28,30,21,22,9,19,13,2,26,4,29,20,8,18,23,11,16,25,15,32,36,10,3,12,17,14,24/E:(2,3,4)(8,9)(10,11)/rA:36nCCOCCCCCCNCOCOCCOCCCCCCOCCCCCCCCCCCCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d15s24;s25;s26;d27;s28;d29;d26s30;s29;s32;s32;s32;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₆ClNO₅
All Atoms:	62
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8951
Area:	732.092
Solvation:	-6.40718
Coulombic:	-54.7664

Bond Count [?]

All:	39
Single:	26
Double:	13
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	503.973
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.89
LogP (Chemaxon):	5.9

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