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Chemical ID: 6628115

Chemical ID:

6628115

Name [?]:

N-[(5-bromo-2-methoxy-phenyl)methyleneamino]-N'-(2-chlorophenyl)-oxamide

SMILES [?]:

COc1ccc(cc1C=NNC(=O)C(=O)Nc2ccccc2Cl)Br

InChi [?]:

InChI=1/C16H13BrClN3O3/c1-24-14-7-6-11(17)8-10(14)9-19-21-16(23)15(22)20-13-5-3-2-4-12(13)18/h2-9H,1H3,(H,20,22)(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,20,19,21,18,5,4,7,9,8,6,22,17,3,14,12,24,23,10,16,11,15,13,2/rA:24nCOCCCCCCCNNCOCONCCCCCCClBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₃BrClN₃O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2847
Area:	557.65
Solvation:	-3.65652
Coulombic:	-52.6414

Bond Count [?]

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

Chemical Properties

Molecular Weight:	410.65
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.36
LogP (Chemaxon):	3.39

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