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Chemical ID: 6174126

c1cc(cc(c1)Cl)NC(=O)C(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3Cl)Cl

Chemical ID:

6174126

Name [?]:

N-(3-chlorophenyl)-N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyleneamino]oxamide

SMILES [?]:

c1cc(cc(c1)Cl)NC(=O)C(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3Cl)Cl

InChi [?]:

InChI=1/C22H16Cl3N3O3/c23-16-2-1-3-18(10-16)27-21(29)22(30)28-26-12-14-4-8-19(9-5-14)31-13-15-6-7-17(24)11-20(15)25/h1-12H,13H2,(H,27,29)(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,6,2,17,21,25,26,18,20,4,28,15,23,16,24,5,27,3,19,29,9,11,7,31,30,14,8,13,10,12,22/E:(4,5)(8,9)/rA:31nCCCCCCClNCOCONNCCCCCCCOCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;d25;s26;d27;d24s28;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₆Cl₃N₃O₃
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	13.7689
Area:	704.806
Solvation:	-3.85126
Coulombic:	-54.6393

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	476.739
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	6.52
LogP (Chemaxon):	6.06

Name Annotations

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

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