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Chemical ID: 4136103

c1ccc(cc1)COc2ccc(cc2)C=NNC(=O)C(=O)Nc3cccc4c3cccc4

Chemical ID:

4136103

Name [?]:

N-[(4-benzyloxyphenyl)methyleneamino]-N'-(1-naphthyl)oxamide

SMILES [?]:

c1ccc(cc1)COc2ccc(cc2)C=NNC(=O)C(=O)Nc3cccc4c3cccc4

InChi [?]:

InChI=1/C26H21N3O3/c30-25(28-24-12-6-10-21-9-4-5-11-23(21)24)26(31)29-27-17-19-13-15-22(16-14-19)32-18-20-7-2-1-3-8-20/h1-17H,18H2,(H,28,30)(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,2,6,31,30,25,3,5,32,26,29,24,11,13,10,14,15,7,12,4,27,9,28,23,20,18,16,22,17,21,19,8/E:(2,3)(7,8)(13,14)(15,16)/rA:32nCCCCCCCOCCCCCCCNNCOCONCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;w15;s16;s17;d18;s18;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₁N₃O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4293
Area:	676.636
Solvation:	-4.48663
Coulombic:	-55.0752

Bond Count [?]

All:	35
Single:	21
Double:	14
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	423.463
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.92
LogP (Chemaxon):	5.51

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

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Chemical Mix	Source	External ID	Descriptor	Value