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Chemical ID: 6500145

Chemical ID:

6500145

Name [?]:

N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methyleneamino]oxamide

SMILES [?]:

Cc1cccc(c1C)NC(=O)C(=O)NN=Cc2ccc(cc2)OC

InChi [?]:

InChI=1/C18H19N3O3/c1-12-5-4-6-16(13(12)2)20-17(22)18(23)21-19-11-14-7-9-15(24-3)10-8-14/h4-11H,1-3H3,(H,20,22)(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,8,24,4,3,5,18,22,19,21,16,2,7,17,20,6,10,12,15,9,14,11,13,23/E:(7,8)(9,10)/rA:24nCCCCCCCCNCOCONNCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉N₃O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.59734
Area:	544.816
Solvation:	-4.02307
Coulombic:	-51.7023

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	325.362
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.6
LogP (Chemaxon):	3.01

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