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Chemical ID: 6631285

Chemical ID:

6631285

Name [?]:

N'-(3-chloro-2-methyl-phenyl)-N-[(2-ethoxyphenyl)methyleneamino]oxamide

SMILES [?]:

CCOc1ccccc1C=NNC(=O)C(=O)Nc2cccc(c2C)Cl

InChi [?]:

InChI=1/C18H18ClN3O3/c1-3-25-16-10-5-4-7-13(16)11-20-22-18(24)17(23)21-15-9-6-8-14(19)12(15)2/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,24,2,7,6,20,8,21,19,5,10,23,9,22,18,4,15,13,25,11,17,12,16,14,3/rA:25nCCOCCCCCCCNNCOCONCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈ClN₃O₃
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0288
Area:	581.756
Solvation:	-3.51509
Coulombic:	-53.2499

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	359.807
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.21
LogP (Chemaxon):	3.4

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