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Chemical ID: 6645854

COc1cc(ccc1O)C=NNC(=O)COc2ccc(cc2)OCc3ccccc3

Chemical ID:

6645854

Name [?]:

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

SMILES [?]:

COc1cc(ccc1O)C=NNC(=O)COc2ccc(cc2)OCc3ccccc3

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,28,27,29,26,30,6,19,21,18,22,7,4,10,24,15,25,5,20,17,8,3,13,11,12,9,14,2,23,16/E:(3,4)(5,6)(8,9)(10,11)/rA:30nCOCCCCCCOCNNCOCOCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;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:	7.17376
Area:	670.823
Solvation:	-9.59682
Coulombic:	-56.5714

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

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

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