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Chemical ID: 6882914

COc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)Oc4ccccc4

Chemical ID:

6882914

Name [?]:

N-(2-methoxyphenyl)-4-[(4-phenoxyphenyl)carbamoylmethoxy]benzamide

SMILES [?]:

COc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)Oc4ccccc4

InChi [?]:

InChI=1/C28H24N2O5/c1-33-26-10-6-5-9-25(26)30-28(32)20-11-15-22(16-12-20)34-19-27(31)29-21-13-17-24(18-14-21)35-23-7-3-2-4-8-23/h2-18H,19H2,1H3,(H,29,31)(H,30,32)

InChi Info:

AuxInfo=1/1/N:1,33,32,34,6,5,31,35,7,4,13,17,24,28,14,16,25,27,19,12,23,15,30,26,8,3,20,10,22,9,21,11,2,18,29/E:(3,4)(7,8)(11,12)(13,14)(15,16)(17,18)/rA:35nCOCCCCCCNCOCCCCCCOCCONCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₄N₂O₅
All Atoms:	59
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	11.439
Area:	734.511
Solvation:	-6.92374
Coulombic:	-66.5308

Bond Count [?]

All:	38
Single:	24
Double:	14
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	468.501
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	5.04
LogP (Chemaxon):	5.11

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