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Chemical ID: 5852737

Chemical ID:

5852737

Name [?]:

N-(2,6-dimethylphenyl)-N'-[(2-hydroxyphenyl)methyleneamino]oxamide

SMILES [?]:

Cc1cccc(c1NC(=O)C(=O)NN=Cc2ccccc2O)C

InChi [?]:

InChI=1/C17H17N3O3/c1-11-6-5-7-12(2)15(11)19-16(22)17(23)20-18-10-13-8-3-4-9-14(13)21/h3-10,21H,1-2H3,(H,19,22)(H,20,23)

InChi Info:

AuxInfo=1/1/N:1,23,18,19,4,3,5,17,20,15,2,6,16,21,7,9,11,14,8,13,22,10,12/E:(1,2)(6,7)(11,12)/rA:23nCCCCCCCNCOCONNCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇N₃O₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.25731
Area:	510.022
Solvation:	-3.49323
Coulombic:	-60.8535

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	311.335
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	3.07
LogP (Chemaxon):	2.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value