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Chemical ID: 5852750

Cc1c(cccc1Cl)NC(=O)C(=O)NN=Cc2ccc(cc2)OCc3ccccc3Cl

Chemical ID:

5852750

Name [?]:

N-(3-chloro-2-methyl-phenyl)-N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methyleneamino]oxamide

SMILES [?]:

Cc1c(cccc1Cl)NC(=O)C(=O)NN=Cc2ccc(cc2)OCc3ccccc3Cl

InChi [?]:

InChI=1/C23H19Cl2N3O3/c1-15-19(24)7-4-8-21(15)27-22(29)23(30)28-26-13-16-9-11-18(12-10-16)31-14-17-5-2-3-6-20(17)25/h2-13H,14H2,1H3,(H,27,29)(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,27,28,5,26,29,6,4,18,22,19,21,16,24,2,17,25,20,7,30,3,10,12,8,31,15,9,14,11,13,23/E:(9,10)(11,12)/rA:31nCCCCCCCClNCOCONNCCCCCCCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;d26;s27;d28;d25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₉Cl₂N₃O₃
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	13.5721
Area:	692.005
Solvation:	-3.72805
Coulombic:	-54.9168

Bond Count [?]

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

Chemical Properties

Molecular Weight:	456.321
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	6.12
LogP (Chemaxon):	5.36

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

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Chemical Mix	Source	External ID	Descriptor	Value