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Chemical ID: 6643958

Cc1cccc(c1)OCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccccc3

Chemical ID:

6643958

Name [?]:

N-[(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-2-(3-methylphenoxy)-acetamide

SMILES [?]:

Cc1cccc(c1)OCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccccc3

InChi [?]:

InChI=1/C24H24N2O4/c1-18-7-6-10-21(13-18)29-17-24(27)26-25-15-20-11-12-22(23(14-20)28-2)30-16-19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,22,28,27,29,4,3,26,30,5,16,17,7,20,14,24,9,2,25,15,6,18,19,10,13,12,11,21,8,23/E:(4,5)(8,9)/rA:30nCCCCCCCOCCONNCCCCCCCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄N₂O₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	7.52928
Area:	675.283
Solvation:	-9.35278
Coulombic:	-40.8804

Bond Count [?]

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

Chemical Properties

Molecular Weight:	404.458
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.38
LogP (Chemaxon):	4.75

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