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Chemical ID: 6984889

COc1ccc(cc1)OCC(=O)NN=Cc2cccc(c2)OCc3ccccc3

Chemical ID:

6984889

Name [?]:

N-[(3-benzyloxyphenyl)methyleneamino]-2-(4-methoxyphenoxy)-acetamide

SMILES [?]:

COc1ccc(cc1)OCC(=O)NN=Cc2cccc(c2)OCc3ccccc3

InChi [?]:

InChI=1/C23H22N2O4/c1-27-20-10-12-21(13-11-20)29-17-23(26)25-24-15-19-8-5-9-22(14-19)28-16-18-6-3-2-4-7-18/h2-15H,16-17H2,1H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,27,26,28,18,25,29,17,19,4,8,5,7,21,15,23,10,24,16,3,6,20,11,14,13,12,2,22,9/E:(3,4)(6,7)(10,11)(12,13)/rA:29nCOCCCCCCOCCONNCCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₂N₂O₄
All Atoms:	51
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	8.34958
Area:	666.304
Solvation:	-8.30803
Coulombic:	-41.4454

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	390.432
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.22
LogP (Chemaxon):	4.29

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