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Chemical ID: 6646758

c1ccc(cc1)COc2ccccc2C=NNC(=O)C(=O)Nc3ccc(cc3)Cl

Chemical ID:

6646758

Name [?]:

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

SMILES [?]:

c1ccc(cc1)COc2ccccc2C=NNC(=O)C(=O)Nc3ccc(cc3)Cl

InChi [?]:

InChI=1/C22H18ClN3O3/c23-18-10-12-19(13-11-18)25-21(27)22(28)26-24-14-17-8-4-5-9-20(17)29-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,2,6,12,11,3,5,13,10,25,27,24,28,15,7,4,14,26,23,9,20,18,29,16,22,17,21,19,8/E:(2,3)(6,7)(10,11)(12,13)/rA:29nCCCCCCCOCCCCCCCNNCOCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;w15;s16;s17;d18;s18;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈ClN₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.351
Area:	656.693
Solvation:	-4.06633
Coulombic:	-54.8945

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	407.849
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.27
LogP (Chemaxon):	5.02

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value