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Chemical ID: 6172922

COc1cc(cc(c1OC)OC)C=NNC(=O)C(=O)Nc2cc(ccc2Cl)Cl

Chemical ID:

6172922

Name [?]:

N'-(2,5-dichlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyleneamino]oxamide

SMILES [?]:

COc1cc(cc(c1OC)OC)C=NNC(=O)C(=O)Nc2cc(ccc2Cl)Cl

InChi [?]:

InChI=1/C18H17Cl2N3O5/c1-26-14-6-10(7-15(27-2)16(14)28-3)9-21-23-18(25)17(24)22-13-8-11(19)4-5-12(13)20/h4-9H,1-3H3,(H,22,24)(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,12,10,24,25,4,6,22,13,5,23,26,21,3,7,8,18,16,28,27,14,20,15,19,17,2,11,9/E:(1,2)(6,7)(14,15)(26,27)/rA:28nCOCCCCCCOCOCCNNCOCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;s15;d16;s16;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₇Cl₂N₃O₅
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	8.30465
Area:	622.997
Solvation:	-7.27027
Coulombic:	-65.2728

Bond Count [?]

All:	29
Single:	20
Double:	9
Rotors:	9
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	426.25
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.61
LogP (Chemaxon):	2.61

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