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Chemical ID: 5810534

Chemical ID:

5810534

Name [?]:

N-(5-chloro-2-methyl-phenyl)-N'-[(2-methoxyphenyl)methyleneamino]oxamide

SMILES [?]:

Cc1ccc(cc1NC(=O)C(=O)NN=Cc2ccccc2OC)Cl

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,23,18,19,17,20,3,4,6,15,2,16,5,7,21,9,11,24,14,8,13,10,12,22/rA:24nCCCCCCCNCOCONNCCCCCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	10.2773
Area:	555.308
Solvation:	-3.60541
Coulombic:	-52.6933

Bond Count [?]

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

Chemical Properties

Molecular Weight:	345.78
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.79
LogP (Chemaxon):	3.06

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