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Chemical ID: 7336299

CCOc1ccc(cc1)c2c(sc(n2)NC(=O)COc3ccc4c(c3)c5ccccc5o4)C

Chemical ID:

7336299

Name [?]:

2-dibenzofuran-2-yloxy-N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-acetamide

SMILES [?]:

CCOc1ccc(cc1)c2c(sc(n2)NC(=O)COc3ccc4c(c3)c5ccccc5o4)C

InChi [?]:

InChI=1/C26H22N2O4S/c1-3-30-18-10-8-17(9-11-18)25-16(2)33-26(28-25)27-24(29)15-31-19-12-13-23-21(14-19)20-6-4-5-7-22(20)32-23/h4-14H,3,15H2,1-2H3,(H,27,28,29)

InChi Info:

AuxInfo=1/1/N:1,33,2,28,29,27,30,6,8,5,9,21,22,25,18,11,7,4,20,26,24,31,23,16,10,13,15,14,17,3,19,32,12/E:(8,9)(10,11)/rA:33nCCOCCCCCCCCSCNNCOCOCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s24;s26;d27;s28;d29;d26s30;s23s31;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂N₂O₄S
All Atoms:	55
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9879
Area:	702.79
Solvation:	-6.58186
Coulombic:	-49.5912

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	458.53
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.1
LogP (Chemaxon):	6.28

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