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Chemical ID: 5851956

Chemical ID:

5851956

Name [?]:

N'-[(4-chlorophenyl)methyleneamino]-N-(2-ethoxyphenyl)-oxamide

SMILES [?]:

CCOc1ccccc1NC(=O)C(=O)NN=Cc2ccc(cc2)Cl

InChi [?]:

InChI=1/C17H16ClN3O3/c1-2-24-15-6-4-3-5-14(15)20-16(22)17(23)21-19-11-12-7-9-13(18)10-8-12/h3-11H,2H2,1H3,(H,20,22)(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,2,7,6,8,5,19,23,20,22,17,18,21,9,4,11,13,24,16,10,15,12,14,3/E:(7,8)(9,10)/rA:24nCCOCCCCCCNCOCONNCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₆ClN₃O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4716
Area:	565.663
Solvation:	-3.66997
Coulombic:	-53.3596

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	345.78
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.99
LogP (Chemaxon):	3.59

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value