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Chemical ID: 4136636

COc1cccc(c1)NC(=O)C(=O)NN=Cc2ccc(cc2)OCc3ccccc3

Chemical ID:

4136636

Name [?]:

N'-[(4-benzyloxyphenyl)methyleneamino]-N-(3-methoxyphenyl)-oxamide

SMILES [?]:

COc1cccc(c1)NC(=O)C(=O)NN=Cc2ccc(cc2)OCc3ccccc3

InChi [?]:

InChI=1/C23H21N3O4/c1-29-21-9-5-8-19(14-21)25-22(27)23(28)26-24-15-17-10-12-20(13-11-17)30-16-18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,28,27,29,5,26,30,6,4,18,22,19,21,8,16,24,17,25,7,20,3,10,12,15,9,14,11,13,2,23/E:(3,4)(6,7)(10,11)(12,13)/rA:30nCOCCCCCCNCOCONNCCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₁N₃O₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.657
Area:	656.92
Solvation:	-5.76599
Coulombic:	-60.2571

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	403.431
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	4.56
LogP (Chemaxon):	4.25

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