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Chemical ID: 6632068

Cc1ccc(cc1)NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc3cccc(c3)O

Chemical ID:

6632068

Name [?]:

N'-[(3-hydroxyphenyl)methyleneamino]-N-[2-(p-tolylcarbamoyl)phenyl]-oxamide

SMILES [?]:

Cc1ccc(cc1)NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc3cccc(c3)O

InChi [?]:

InChI=1/C23H20N4O4/c1-15-9-11-17(12-10-15)25-21(29)19-7-2-3-8-20(19)26-22(30)23(31)27-24-14-16-5-4-6-18(28)13-16/h2-14,28H,1H3,(H,25,29)(H,26,30)(H,27,31)

InChi Info:

AuxInfo=1/1/N:1,13,14,27,26,28,12,15,3,7,4,6,30,24,2,25,5,29,11,16,9,18,20,23,8,17,22,31,10,19,21/E:(9,10)(11,12)/rA:31nCCCCCCCNCOCCCCCCNCOCONNCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;d18;s18;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀N₄O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.563
Area:	654.892
Solvation:	-4.80927
Coulombic:	-82.128

Bond Count [?]

All:	33
Single:	20
Double:	13
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	416.429
H-Bond Donors:	4
H-Bond Acceptors:	8
XLogP:	4.46
LogP (Chemaxon):	4.22

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