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Chemical ID: 5106988

c1ccc(cc1)COc2ccc(cc2)NC(=O)C(=O)NN=Cc3ccccc3OCc4ccccc4

Chemical ID:

5106988

Name [?]:

N-(4-benzyloxyphenyl)-N'-[(2-benzyloxyphenyl)methyleneamino]oxamide

SMILES [?]:

c1ccc(cc1)COc2ccc(cc2)NC(=O)C(=O)NN=Cc3ccccc3OCc4ccccc4

InChi [?]:

InChI=1/C29H25N3O4/c33-28(31-25-15-17-26(18-16-25)35-20-22-9-3-1-4-10-22)29(34)32-30-19-24-13-7-8-14-27(24)36-21-23-11-5-2-6-12-23/h1-19H,20-21H2,(H,31,33)(H,32,34)

InChi Info:

AuxInfo=1/1/N:1,34,2,6,33,35,25,26,3,5,32,36,24,27,11,13,10,14,22,7,30,4,31,23,12,9,28,16,18,21,15,20,17,19,8,29/E:(3,4)(5,6)(9,10)(11,12)(15,16)(17,18)/rA:36nCCCCCCCOCCCCCCNCOCONNCCCCCCCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;d18;s18;s20;w21;s22;s23;d24;s25;d26;d23s27;s28;s29;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₅N₃O₄
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	13.5012
Area:	767.476
Solvation:	-5.68566
Coulombic:	-62.9566

Bond Count [?]

All:	39
Single:	24
Double:	15
Rotors:	12
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	479.527
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	6.27
LogP (Chemaxon):	6.03

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