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Chemical ID: 6643968

Cc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccccc3

Chemical ID:

6643968

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccccc3

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,22,28,27,29,26,30,3,7,16,4,6,17,20,14,24,9,2,25,15,5,18,19,10,13,12,11,21,8,23/E:(4,5)(6,7)(8,9)(11,12)/rA:30nCCCCCCCOCCONNCCCCCCCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;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:	7.47584
Area:	673.749
Solvation:	-9.3679
Coulombic:	-40.8395

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