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Chemical ID: 6644240

COc1cccc(c1O)C=NNC(=O)COc2ccc(cc2)OCc3ccccc3

Chemical ID:

6644240

Name [?]:

2-(4-benzyloxyphenoxy)-N-[(2-hydroxy-3-methoxy-phenyl)methyleneamino]acetamide

SMILES [?]:

COc1cccc(c1O)C=NNC(=O)COc2ccc(cc2)OCc3ccccc3

InChi [?]:

InChI=1/C23H22N2O5/c1-28-21-9-5-8-18(23(21)27)14-24-25-22(26)16-30-20-12-10-19(11-13-20)29-15-17-6-3-2-4-7-17/h2-14,27H,15-16H2,1H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,28,27,29,5,26,30,6,4,19,21,18,22,10,24,15,25,7,20,17,3,13,8,11,12,14,9,2,23,16/E:(3,4)(6,7)(10,11)(12,13)/rA:30nCOCCCCCCOCNNCOCOCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;w10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₂N₂O₅
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	7.23066
Area:	667.166
Solvation:	-9.4485
Coulombic:	-57.0562

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	406.431
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	4.81
LogP (Chemaxon):	4.0

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value