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Chemical ID: 4131048

Cc1ccc(cc1)COc2ccc(cc2)C(=O)NN=Cc3ccc(cc3)OCc4ccccc4

Chemical ID:

4131048

Name [?]:

N-[(4-benzyloxyphenyl)methyleneamino]-4-(p-tolylmethoxy)benzamide

SMILES [?]:

Cc1ccc(cc1)COc2ccc(cc2)C(=O)NN=Cc3ccc(cc3)OCc4ccccc4

InChi [?]:

InChI=1/C29H26N2O3/c1-22-7-9-25(10-8-22)21-34-28-17-13-26(14-18-28)29(32)31-30-19-23-11-15-27(16-12-23)33-20-24-5-3-2-4-6-24/h2-19H,20-21H2,1H3,(H,31,32)

InChi Info:

AuxInfo=1/1/N:1,32,31,33,30,34,3,7,4,6,22,26,12,14,23,25,11,15,20,28,8,2,21,29,5,13,24,10,16,19,18,17,27,9/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:34nCCCCCCCCOCCCCCCCONNCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s24;s27;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₆N₂O₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	12.244
Area:	738.094
Solvation:	-6.20831
Coulombic:	-37.9108

Bond Count [?]

All:	37
Single:	23
Double:	14
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	450.528
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	7.68
LogP (Chemaxon):	6.76

Name Annotations

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

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