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Chemical ID: 4136452

Cc1ccc(cc1)NC(=O)C(=O)NN=Cc2cccc(c2)Oc3ccccc3

Chemical ID:

4136452

Name [?]:

N'-[(3-phenoxyphenyl)methyleneamino]-N-(p-tolyl)oxamide

SMILES [?]:

Cc1ccc(cc1)NC(=O)C(=O)NN=Cc2cccc(c2)Oc3ccccc3

InChi [?]:

InChI=1/C22H19N3O3/c1-16-10-12-18(13-11-16)24-21(26)22(27)25-23-15-17-6-5-9-20(14-17)28-19-7-3-2-4-8-19/h2-15H,1H3,(H,24,26)(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,26,25,27,18,17,24,28,19,3,7,4,6,21,15,2,16,5,23,20,9,11,14,8,13,10,12,22/E:(3,4)(7,8)(10,11)(12,13)/rA:28nCCCCCCCNCOCONNCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₉N₃O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	11.337
Area:	602.504
Solvation:	-3.72558
Coulombic:	-53.677

Bond Count [?]

All:	30
Single:	18
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	373.405
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.94
LogP (Chemaxon):	4.88

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