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Chemical ID: 6963697

Chemical ID:

6963697

Name [?]:

N-[(2,6-dichlorophenyl)methyleneamino]-2-(4-ethoxyphenyl)amino-acetamide

SMILES [?]:

CCOc1ccc(cc1)NCC(=O)NN=Cc2c(cccc2Cl)Cl

InChi [?]:

InChI=1/C17H17Cl2N3O2/c1-2-24-13-8-6-12(7-9-13)20-11-17(23)22-21-10-14-15(18)4-3-5-16(14)19/h3-10,20H,2,11H2,1H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,2,20,19,21,6,8,5,9,16,11,7,4,17,18,22,12,24,23,10,15,14,13,3/E:(4,5)(6,7)(8,9)(15,16)(18,19)/rA:24nCCOCCCCCCNCCONNCCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇Cl₂N₃O₂
All Atoms:	41
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.50621
Area:	591.107
Solvation:	-5.27147
Coulombic:	-37.9334

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	366.241
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.99
LogP (Chemaxon):	3.97

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value