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Chemical ID: 6302811

Chemical ID:

6302811

Name [?]:

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

SMILES [?]:

COc1ccccc1NC(=O)C(=O)NN=Cc2cc(ccc2O)Cl

InChi [?]:

InChI=1/C16H14ClN3O4/c1-24-14-5-3-2-4-12(14)19-15(22)16(23)20-18-9-10-8-11(17)6-7-13(10)21/h2-9,21H,1H3,(H,19,22)(H,20,23)

InChi Info:

AuxInfo=1/1/N:1,6,5,7,4,20,21,18,16,17,19,8,22,3,10,12,24,15,9,14,23,11,13,2/rA:24nCOCCCCCCNCOCONNCCCCCCCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄ClN₃O₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	8.90919
Area:	543.275
Solvation:	-4.67269
Coulombic:	-67.9848

Bond Count [?]

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

Chemical Properties

Molecular Weight:	347.753
H-Bond Donors:	3
H-Bond Acceptors:	7
XLogP:	3.16
LogP (Chemaxon):	2.96

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